We present a fully time-dependent quantum wave packet evolution method for investigating molecular dynamics in intense laser fields.This approach enables the simultaneous treatment of interactions among multiple elect...We present a fully time-dependent quantum wave packet evolution method for investigating molecular dynamics in intense laser fields.This approach enables the simultaneous treatment of interactions among multiple electronic states while simultaneously tracking their time-dependent electronic,vibrational,and rotational dynamics.As an illustrative example,we consider neutral H_(2)molecules and simulate the laser-induced excitation dynamics of electronic and rotational states in strong laser fields,quantitatively distinguishing the respective contributions of electronic dipole transitions(within the classical-field approximation)and non-resonant Raman processes to the overall molecular dynamics.Furthermore,we precisely evaluate the relative contributions of direct tunneling ionization from the ground state and ionization following electronic excitation in the strong-field ionization of H_(2).The developed methodology shows strong potential for performing high-precision theoretical simulations of electronic-vibrational-rotational state excitations,ionization,and dissociation dynamics in molecules and their ions under intense laser fields.展开更多
The important features of the rescattering trajectories in strong field ionization process such as the cutoff of the return energy at 3.17Up and that of the final energy at 10Up are obtained, based on the adiabatic ap...The important features of the rescattering trajectories in strong field ionization process such as the cutoff of the return energy at 3.17Up and that of the final energy at 10Up are obtained, based on the adiabatic approximation in which the initial momentum of the electron is assumed to be zero. We theoretically study the nonadiabatic effect by assuming a nonzero initial momentum on the rescattering trajectories based on the semiclassical simpleman model. We show that the nonzero initial momentum will modify both the maximal return energy at collision and the final energy after backward scattering, but in different ways for odd and even number of return trajectories. The energies are increased for even number of returns but are decreased for odd number of returns when the nonzero （positive or negative） initial momentum is applied.展开更多
The mass spectrometric fragmentation of 1-（benzyloxycarbonyl）amino-2-alkyl/cycloalkyl thioacetates has been studied with the aid of mass-analysed ion kinetic energy spectrometry under electron impact ionization. All...The mass spectrometric fragmentation of 1-（benzyloxycarbonyl）amino-2-alkyl/cycloalkyl thioacetates has been studied with the aid of mass-analysed ion kinetic energy spectrometry under electron impact ionization. All compounds show a tendency to eliminate a ketene, thioacetic acid, and benzyl carbamate molecule, or an acetyl and benzyloxy radicals. A thioester pyrolysis-type rearrangement under electron impact ionizations was observed.展开更多
Ionization potentials and electron affinities of Cux (n = 2-7) atomic clusters with the optimal geom etries have been calculated by use of SC F-Xa-SW method and Slater's transition state theory. Theo retical calc...Ionization potentials and electron affinities of Cux (n = 2-7) atomic clusters with the optimal geom etries have been calculated by use of SC F-Xa-SW method and Slater's transition state theory. Theo retical calcuIations show that the ionization potentiaIs and electron affinities of Cu. (n = 2-7) atom ic clusters have a sharp even / odd alternation with increasing their sizes, which are related to the electronic structure of Cun atomic clusters. The theoretical results are consistent with the related ex perimental ones.展开更多
A new type of ferrocenyl thia crown ethers used as selective ligands to some poisonous metals was synthesized, and the features of their mass spectra in electron ionization mode were summarized as: (1) the strong mol...A new type of ferrocenyl thia crown ethers used as selective ligands to some poisonous metals was synthesized, and the features of their mass spectra in electron ionization mode were summarized as: (1) the strong molecular ion peaks; (2) a characteristic homologous ion series with sequential loss of C 2H 4S or C 2H 4O from M C 5H 5; (3) a new rearrangement reaction of Fe migration; (4) the uncommon loss of alcohol or thiol from the fragments of Fe rearrangement. Some typical fragmentation patterns were discussed in detail with the aid of exact mass measurement and MS/MS technique.展开更多
Electron correlation is encoded directly in the distribution of the energetic electrons produced in a recollision-impact double ionization process, and varies with the laser field and the target atoms. In order to get...Electron correlation is encoded directly in the distribution of the energetic electrons produced in a recollision-impact double ionization process, and varies with the laser field and the target atoms. In order to get equivalent electron correlation effects, one should enlarge the laser intensity cubically and the laser frequency linearly in proportion to the second ionization potentials of the target atoms. The physical mechanism behind the transform is to keep the ponderomotive parameter unchanged when the laser frequency is enlarged.展开更多
The electronic structure of Ag_n and Au_n(n=2,3,4) calculated by DV—X_α method, are different each other, and the ionization potentials of Ag_n and Au_n as a function of cluster size n exhibit an interesting 'sa...The electronic structure of Ag_n and Au_n(n=2,3,4) calculated by DV—X_α method, are different each other, and the ionization potentials of Ag_n and Au_n as a function of cluster size n exhibit an interesting 'saw—tooth' behavior. The interactions between atom Ag—Ag and Au —Au in Ag_2, Au_2 for different bond length are analyzed. The DOS of the orbitals shows those interactions directly.展开更多
We discuss an electron transport in an ideal plasma which consists of electrons and deuterons. With respect to a frictional force to suppress an unlimited increase of a drift velocity, the Boltzmann equation with the ...We discuss an electron transport in an ideal plasma which consists of electrons and deuterons. With respect to a frictional force to suppress an unlimited increase of a drift velocity, the Boltzmann equation with the Fokker-Planck collision term takes into consideration only a dynamical frictional force coming from the many-body collisions through the Coulomb force. However, we here bring forward a problem that there may be another frictional force besides the dynamical frictional force. Another frictional force was found in the weakly ionized plasma and appears only in the case where free paths (nearly straight lines in no external force field) can be defined. Then, we have inquired into the existence of physical quantities like free paths (or free times) in the field of the scattering through the Coulomb force and the existence of an effective radius of the Coulomb force of a deuteron.展开更多
The multi-charged sulfur ions of Sq^＋ （q ≤ 6） have been generated when hydrogen sulfide cluster beams are irradiated by a nanosecond laser of 1064 and 532 nm with an intensity of 10^10- 10^12W.cm^-2. S^6＋ is the ...The multi-charged sulfur ions of Sq^＋ （q ≤ 6） have been generated when hydrogen sulfide cluster beams are irradiated by a nanosecond laser of 1064 and 532 nm with an intensity of 10^10- 10^12W.cm^-2. S^6＋ is the dominant multicharged species at 1064 nm, while S^4＋, S^3＋ and S^2＋ ions are the main multi-charged species at 532 nm. A three-step model （i.e., multiphoton ionization triggering, inverse bremsstrahlung heating, electron collision ionizing） is proposed to explain the generation of these multi-charged ions at the laser intensity stated above. The high ionization level of the clusters and the increasing charge state of the ion products with increasing laser wavelength are supposed mainly due to the rate-limiting step, i.e., electron heating by absorption energy from the laser field via inverse bremsstrahlung, which is proportional to λ2,λA being the laser wavelength.展开更多
In this work we study the adsorptions of some small molecules or group on the hydrogenated C（100）-2×1 surface using density functional theory method. The calculated results show that the ionization potential ...In this work we study the adsorptions of some small molecules or group on the hydrogenated C（100）-2×1 surface using density functional theory method. The calculated results show that the ionization potential （IP） of the hydrogenated C（100）-2×1 surfaces after adsorption has amphoteric characteristics. From the weak basic NH3 molecule with small IP and negative electron affinity （EA）, through the neutral H2O molecule, to the weak acid HF molecule and the OH group with large EA and IP, the IP values of the adsorbed diamond surfaces vary from decrease, through invariability, to slight increase for HF and obvious increase for OH. In all adsorption species, only the OH group makes the hydrogenated C（100）-2×1 surface change to the metal from the semiconductor with a wide-band gap, while the others only introduce impurity states into the electronic structures of the hydrogenated C（100）-2×1 surfaces.展开更多
Mass spectrometric behaviour of （R） -1- （ 4-alkylphenyl ） alcohols, 1- （4-alkoxylphenyl） alcohols, and 1- （4-alkylthiophenyl） alcohols were studied with the aid of mass-analyzed ion kinetic energy spectrometry...Mass spectrometric behaviour of （R） -1- （ 4-alkylphenyl ） alcohols, 1- （4-alkoxylphenyl） alcohols, and 1- （4-alkylthiophenyl） alcohols were studied with the aid of mass-analyzed ion kinetic energy spectrometry under electron impact ionization. All the title compounds show a tendency to eliminate a water molecule to form alkene ions and undergo an a-cleavago to produce protonated aldehyde ions by the loss of alkyl radicals. Except these two common fragment ions, they also show some different fragmentations due to with or without oxy/thioether-linkage.展开更多
Many multicomponent concentrated solid solution alloys(CSAs),including high-entropy alloys(HEAs),exhibit improved radiation resistance and enhanced structural stability in harsh environments.To study and assess irradi...Many multicomponent concentrated solid solution alloys(CSAs),including high-entropy alloys(HEAs),exhibit improved radiation resistance and enhanced structural stability in harsh environments.To study and assess irradiation resistance of nuclear materials,energetic ion and electron beams are commonly used to create displacement damage.Moreover,charged particles of ions,electrons,and positrons are unique tools to create and characterize radiation effects.Ion beam analysis(e.g.,Rutherford backscattering spectrometry,nuclear reaction analysis,and time-of-flight elastic recoil detection analysis),electron microscopy techniques(e.g.,transmission or scanning electron microscopy,and electron diffraction),and positron annihilation spectroscopy have been applied to characterize irradiated CSAs or HEAs to understand defect formation and evolution together with chemical and microstructural information.Their distinctive analyzing power and some perspectives in these techniques are reviewed.In developing structural alloys desirable for applications in advanced reactors,neutron exposure is a critical test but the limitation in achievable high damage levels is,however,a bottleneck.Ion irradiation is often used as a surrogate for neutron irradiation,and the associated reduced transmutations and higher displacements per atom(dpa)rates are desirable for materials research.Nevertheless,cautions need to be taken when relying on ion irradiation results for reactor evaluations.Literature on differences between ions and neutrons is briefly reviewed.In addition,the links to bridge the current advances on fundamental understandings to reactor applications are discussed to lay the groundwork between neutrons and ions for radiation effects studies.展开更多
Detailed understanding of the mechanism of the combustion relevant multichannel reactions of O(3P) with unsaturated hydrocarbons (UHs) requires the identification of all primary reaction products, the determination of...Detailed understanding of the mechanism of the combustion relevant multichannel reactions of O(3P) with unsaturated hydrocarbons (UHs) requires the identification of all primary reaction products, the determination of their branching ratios and assessment of intersystem crossing (ISC) between triplet and singlet potential energy surfaces (PESs). This can be best achieved combining crossed-molecular-beam (CMB) experiments with universal, soft ionization, mass-spectrometric detection and time-of-flight analysis to high-level ab initio electronic structure calculations of triplet/singlet PESs and RRKM/Master Equation computations of branching ratios (BRs) including ISC. This approach has been recently demonstrated to be successful for O(3P) reactions with the simplest UHs (alkynes, alkenes, dienes) containing two or three carbon atoms. Here, we extend the combined CMB/theoretical approach to the next member in the diene series containing four C atoms, namely 1,2-butadiene (methylallene) to explore how product distributions, branching ratios and ISC vary with increasing molecular complexity going from O(3P))+propadiene to O(3P)+1,2-butadiene. In particular, we focus on the most important, dominant molecular channels, those forming propene+CO (with branching ratio ∽0.5) and ethylidene+ketene (with branching ratio ∽0.15), that lead to chain termination, to be contrasted to radical forming channels (branching ratio ∽0.35) which lead to chain propagation in combustion systems.展开更多
An intermolecular phenolic hydroxy methylation occurring between chiral N,N'-bis(2-hydroxyphenyl)-2,2-di- methyl-1,3-dioxolane-4,5-dicarbamide and co-crystallized methanol under electron impact ionization conditio...An intermolecular phenolic hydroxy methylation occurring between chiral N,N'-bis(2-hydroxyphenyl)-2,2-di- methyl-1,3-dioxolane-4,5-dicarbamide and co-crystallized methanol under electron impact ionization conditions was observed. The result was confirmed by X-ray diffraction structural ananlysis of a co-crystalline of (R,R)-enantiomer and methanol.展开更多
Seven alkaloids were isolated from the seeds of Ammopiptanthus mongolica by thin layer chromatography and silica gel column chromatography,and the chemical structures of five alkaloids,17-oxosparteine,b-isosparteine,3...Seven alkaloids were isolated from the seeds of Ammopiptanthus mongolica by thin layer chromatography and silica gel column chromatography,and the chemical structures of five alkaloids,17-oxosparteine,b-isosparteine,3a-hydroxysparteine,sparteine,and 3b-hydroxysparteine were identified by 1H nuclear magnetic resonance(NMR)and electron ionization mass spectrum(EIMS).展开更多
The mass spectrometric behaviour of four cis- and trans-1a, 3-disuhsdtuted-1,1-dichloro-4-formyl-1a,2,3,4-tetrahydro-1H-azirino[1, 2-a] [1, 5]benzodiazepines has been studied with the aid of mass-analysed ion kinetic ...The mass spectrometric behaviour of four cis- and trans-1a, 3-disuhsdtuted-1,1-dichloro-4-formyl-1a,2,3,4-tetrahydro-1H-azirino[1, 2-a] [1, 5]benzodiazepines has been studied with the aid of mass-analysed ion kinetic energy spectrometry and exact mass measurements under electron impact ionization. All compounds show a tendency to eliminate a chlorine atom from the aziridine ring, and then eliminate a neutral propene or styrene from the diazepine ring to yield azirino[1, 2b][1,3] benzimidazole ions. These azirino[1,2-a][1,5]benzodiazepines can also eliminate HCl, or Cl plus HCl simultaneously to undergo a ring enlargement rearrangement to yield 1,6-benzodiazocine ions, which further lose small molecular fragments, propyne or phenylacetylene, with rearrangement to give quinoxaline ions.展开更多
基金supported by the National Key Research and Development Program of China(Grant No.2022YFA1602502)the National Natural Science Foundation of China(Grant No.12450404)。
文摘We present a fully time-dependent quantum wave packet evolution method for investigating molecular dynamics in intense laser fields.This approach enables the simultaneous treatment of interactions among multiple electronic states while simultaneously tracking their time-dependent electronic,vibrational,and rotational dynamics.As an illustrative example,we consider neutral H_(2)molecules and simulate the laser-induced excitation dynamics of electronic and rotational states in strong laser fields,quantitatively distinguishing the respective contributions of electronic dipole transitions(within the classical-field approximation)and non-resonant Raman processes to the overall molecular dynamics.Furthermore,we precisely evaluate the relative contributions of direct tunneling ionization from the ground state and ionization following electronic excitation in the strong-field ionization of H_(2).The developed methodology shows strong potential for performing high-precision theoretical simulations of electronic-vibrational-rotational state excitations,ionization,and dissociation dynamics in molecules and their ions under intense laser fields.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11425414 and 11504215the Scientific Research Training Program of Shanxi University
文摘The important features of the rescattering trajectories in strong field ionization process such as the cutoff of the return energy at 3.17Up and that of the final energy at 10Up are obtained, based on the adiabatic approximation in which the initial momentum of the electron is assumed to be zero. We theoretically study the nonadiabatic effect by assuming a nonzero initial momentum on the rescattering trajectories based on the semiclassical simpleman model. We show that the nonzero initial momentum will modify both the maximal return energy at collision and the final energy after backward scattering, but in different ways for odd and even number of return trajectories. The energies are increased for even number of returns but are decreased for odd number of returns when the nonzero （positive or negative） initial momentum is applied.
文摘The mass spectrometric fragmentation of 1-（benzyloxycarbonyl）amino-2-alkyl/cycloalkyl thioacetates has been studied with the aid of mass-analysed ion kinetic energy spectrometry under electron impact ionization. All compounds show a tendency to eliminate a ketene, thioacetic acid, and benzyl carbamate molecule, or an acetyl and benzyloxy radicals. A thioester pyrolysis-type rearrangement under electron impact ionizations was observed.
文摘Ionization potentials and electron affinities of Cux (n = 2-7) atomic clusters with the optimal geom etries have been calculated by use of SC F-Xa-SW method and Slater's transition state theory. Theo retical calcuIations show that the ionization potentiaIs and electron affinities of Cu. (n = 2-7) atom ic clusters have a sharp even / odd alternation with increasing their sizes, which are related to the electronic structure of Cun atomic clusters. The theoretical results are consistent with the related ex perimental ones.
文摘A new type of ferrocenyl thia crown ethers used as selective ligands to some poisonous metals was synthesized, and the features of their mass spectra in electron ionization mode were summarized as: (1) the strong molecular ion peaks; (2) a characteristic homologous ion series with sequential loss of C 2H 4S or C 2H 4O from M C 5H 5; (3) a new rearrangement reaction of Fe migration; (4) the uncommon loss of alcohol or thiol from the fragments of Fe rearrangement. Some typical fragmentation patterns were discussed in detail with the aid of exact mass measurement and MS/MS technique.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.61475168 and 11674231)sponsored by Shanghai Gaofeng&Gaoyuan Project for University Academic Program Development(Zhang)
文摘Electron correlation is encoded directly in the distribution of the energetic electrons produced in a recollision-impact double ionization process, and varies with the laser field and the target atoms. In order to get equivalent electron correlation effects, one should enlarge the laser intensity cubically and the laser frequency linearly in proportion to the second ionization potentials of the target atoms. The physical mechanism behind the transform is to keep the ponderomotive parameter unchanged when the laser frequency is enlarged.
基金The project supported by National Nature Science Foundation of China and National Advanced Materials Commlttee of China
文摘The electronic structure of Ag_n and Au_n(n=2,3,4) calculated by DV—X_α method, are different each other, and the ionization potentials of Ag_n and Au_n as a function of cluster size n exhibit an interesting 'saw—tooth' behavior. The interactions between atom Ag—Ag and Au —Au in Ag_2, Au_2 for different bond length are analyzed. The DOS of the orbitals shows those interactions directly.
文摘We discuss an electron transport in an ideal plasma which consists of electrons and deuterons. With respect to a frictional force to suppress an unlimited increase of a drift velocity, the Boltzmann equation with the Fokker-Planck collision term takes into consideration only a dynamical frictional force coming from the many-body collisions through the Coulomb force. However, we here bring forward a problem that there may be another frictional force besides the dynamical frictional force. Another frictional force was found in the weakly ionized plasma and appears only in the case where free paths (nearly straight lines in no external force field) can be defined. Then, we have inquired into the existence of physical quantities like free paths (or free times) in the field of the scattering through the Coulomb force and the existence of an effective radius of the Coulomb force of a deuteron.
基金Project supported by the National Natural Science Foundation of China （Grant No 20573111） and partly supported by the Center for Computational Science, Hefei Institutes of Physical Sciences, China （Grant No 0331405002）.
文摘The multi-charged sulfur ions of Sq^＋ （q ≤ 6） have been generated when hydrogen sulfide cluster beams are irradiated by a nanosecond laser of 1064 and 532 nm with an intensity of 10^10- 10^12W.cm^-2. S^6＋ is the dominant multicharged species at 1064 nm, while S^4＋, S^3＋ and S^2＋ ions are the main multi-charged species at 532 nm. A three-step model （i.e., multiphoton ionization triggering, inverse bremsstrahlung heating, electron collision ionizing） is proposed to explain the generation of these multi-charged ions at the laser intensity stated above. The high ionization level of the clusters and the increasing charge state of the ion products with increasing laser wavelength are supposed mainly due to the rate-limiting step, i.e., electron heating by absorption energy from the laser field via inverse bremsstrahlung, which is proportional to λ2,λA being the laser wavelength.
基金Supported by the Natural Science Foundation of Inner Mongolia (2010BS0805)Inner Mongolia University of Science & Technology Foundation (2009NC008)
文摘In this work we study the adsorptions of some small molecules or group on the hydrogenated C（100）-2×1 surface using density functional theory method. The calculated results show that the ionization potential （IP） of the hydrogenated C（100）-2×1 surfaces after adsorption has amphoteric characteristics. From the weak basic NH3 molecule with small IP and negative electron affinity （EA）, through the neutral H2O molecule, to the weak acid HF molecule and the OH group with large EA and IP, the IP values of the adsorbed diamond surfaces vary from decrease, through invariability, to slight increase for HF and obvious increase for OH. In all adsorption species, only the OH group makes the hydrogenated C（100）-2×1 surface change to the metal from the semiconductor with a wide-band gap, while the others only introduce impurity states into the electronic structures of the hydrogenated C（100）-2×1 surfaces.
文摘Mass spectrometric behaviour of （R） -1- （ 4-alkylphenyl ） alcohols, 1- （4-alkoxylphenyl） alcohols, and 1- （4-alkylthiophenyl） alcohols were studied with the aid of mass-analyzed ion kinetic energy spectrometry under electron impact ionization. All the title compounds show a tendency to eliminate a water molecule to form alkene ions and undergo an a-cleavago to produce protonated aldehyde ions by the loss of alkyl radicals. Except these two common fragment ions, they also show some different fragmentations due to with or without oxy/thioether-linkage.
基金supported as part of Energy Dissipation to Defect Evolution(EDDE)an Energy Frontier Research Center funded by the U.S.Department of Energy,Office of Science,Basic Energy Sciences,under contract number DE-AC05-00OR22725.
文摘Many multicomponent concentrated solid solution alloys(CSAs),including high-entropy alloys(HEAs),exhibit improved radiation resistance and enhanced structural stability in harsh environments.To study and assess irradiation resistance of nuclear materials,energetic ion and electron beams are commonly used to create displacement damage.Moreover,charged particles of ions,electrons,and positrons are unique tools to create and characterize radiation effects.Ion beam analysis(e.g.,Rutherford backscattering spectrometry,nuclear reaction analysis,and time-of-flight elastic recoil detection analysis),electron microscopy techniques(e.g.,transmission or scanning electron microscopy,and electron diffraction),and positron annihilation spectroscopy have been applied to characterize irradiated CSAs or HEAs to understand defect formation and evolution together with chemical and microstructural information.Their distinctive analyzing power and some perspectives in these techniques are reviewed.In developing structural alloys desirable for applications in advanced reactors,neutron exposure is a critical test but the limitation in achievable high damage levels is,however,a bottleneck.Ion irradiation is often used as a surrogate for neutron irradiation,and the associated reduced transmutations and higher displacements per atom(dpa)rates are desirable for materials research.Nevertheless,cautions need to be taken when relying on ion irradiation results for reactor evaluations.Literature on differences between ions and neutrons is briefly reviewed.In addition,the links to bridge the current advances on fundamental understandings to reactor applications are discussed to lay the groundwork between neutrons and ions for radiation effects studies.
基金supported by “Fondazione Cassa Risparmio Perugia” (Project 2015.0331.021 Scientific & Technological Research)EC COST Action CM1404 (Chemistry of Smart Energy Carriers and Technologies– SMARTCATS)+1 种基金the Università degli Studi di Perugia (“Fondo Ricerca di Base 2017”)Italian MIUR and Università degli Studi di Perugia within the program“Department of Excellence-2018-2022-project AMIS”
文摘Detailed understanding of the mechanism of the combustion relevant multichannel reactions of O(3P) with unsaturated hydrocarbons (UHs) requires the identification of all primary reaction products, the determination of their branching ratios and assessment of intersystem crossing (ISC) between triplet and singlet potential energy surfaces (PESs). This can be best achieved combining crossed-molecular-beam (CMB) experiments with universal, soft ionization, mass-spectrometric detection and time-of-flight analysis to high-level ab initio electronic structure calculations of triplet/singlet PESs and RRKM/Master Equation computations of branching ratios (BRs) including ISC. This approach has been recently demonstrated to be successful for O(3P) reactions with the simplest UHs (alkynes, alkenes, dienes) containing two or three carbon atoms. Here, we extend the combined CMB/theoretical approach to the next member in the diene series containing four C atoms, namely 1,2-butadiene (methylallene) to explore how product distributions, branching ratios and ISC vary with increasing molecular complexity going from O(3P))+propadiene to O(3P)+1,2-butadiene. In particular, we focus on the most important, dominant molecular channels, those forming propene+CO (with branching ratio ∽0.5) and ethylidene+ketene (with branching ratio ∽0.15), that lead to chain termination, to be contrasted to radical forming channels (branching ratio ∽0.35) which lead to chain propagation in combustion systems.
基金Project supported by the National Natural Science Foundation of China (No. 20272002) Ministry of Education of China (SRF for ROCS and EYTP) and Peking University (Present grant).
文摘An intermolecular phenolic hydroxy methylation occurring between chiral N,N'-bis(2-hydroxyphenyl)-2,2-di- methyl-1,3-dioxolane-4,5-dicarbamide and co-crystallized methanol under electron impact ionization conditions was observed. The result was confirmed by X-ray diffraction structural ananlysis of a co-crystalline of (R,R)-enantiomer and methanol.
文摘Seven alkaloids were isolated from the seeds of Ammopiptanthus mongolica by thin layer chromatography and silica gel column chromatography,and the chemical structures of five alkaloids,17-oxosparteine,b-isosparteine,3a-hydroxysparteine,sparteine,and 3b-hydroxysparteine were identified by 1H nuclear magnetic resonance(NMR)and electron ionization mass spectrum(EIMS).
基金Project Supported by Ministry of Education of China (the Key University Faculty Programm).
文摘The mass spectrometric behaviour of four cis- and trans-1a, 3-disuhsdtuted-1,1-dichloro-4-formyl-1a,2,3,4-tetrahydro-1H-azirino[1, 2-a] [1, 5]benzodiazepines has been studied with the aid of mass-analysed ion kinetic energy spectrometry and exact mass measurements under electron impact ionization. All compounds show a tendency to eliminate a chlorine atom from the aziridine ring, and then eliminate a neutral propene or styrene from the diazepine ring to yield azirino[1, 2b][1,3] benzimidazole ions. These azirino[1,2-a][1,5]benzodiazepines can also eliminate HCl, or Cl plus HCl simultaneously to undergo a ring enlargement rearrangement to yield 1,6-benzodiazocine ions, which further lose small molecular fragments, propyne or phenylacetylene, with rearrangement to give quinoxaline ions.
