A unique sliver(I)-promoted oxidation reaction of polyphenyl-cyclopentadiene is described, in which an oxygen is inserted into the cyclopentadiene-ring, forming a six-membered pyrylium cation.
The interaction of Hg^2＋ with polyphenyl quinoxaline ligand 2,3,6,7,10,11-hexaphenyldipyrazino[2,3-f：2＇,3＇-h]quinoxaline（HPQ） was investigated, and a new complex（C（49）H（32）N6Br2Cl2Hg） has been synthesized ...The interaction of Hg^2＋ with polyphenyl quinoxaline ligand 2,3,6,7,10,11-hexaphenyldipyrazino[2,3-f：2＇,3＇-h]quinoxaline（HPQ） was investigated, and a new complex（C（49）H（32）N6Br2Cl2Hg） has been synthesized and characterized. It exhibits a 0D single-core structure,and adopts triclinic P 1 space group with a = 11.139（2）, b = 13.429（3）, c = 14.488（3）A, α =76.10（3）, β = 83.16（3）, γ = 87.36（3）o, V = 2088.4（7） A^3, Z = 2, S = 1.056, F（000） = 1104, R = 0.0417 and w R = 0.0931（I 〉 2σ（I））. Furthermore, the behavior of HPQ with Hg^2＋ in the solution was also investigated, and the result shows that HPQ was found to have excellent fluorescent selectivity for Hg^2＋ over many other metal ions（Li^＋, K^＋, Na^＋, Sr^＋, Ca^2＋, Mg^2＋, Mn^2＋, Fe^3＋, Ni^2＋, Co^2＋, Cu^2＋, Zn^2＋,Cd^2＋, Pb^2＋, Al^3＋ and Cr^3＋） based on the intermolecular charge-transfer mechanism, which makes HPQ a potential fluorescence sensor or probe for Hg^2＋.展开更多
The hydrolysis of polyphenyl 1,2,4 triazine (As PPT) and polyphenyl 1,3,5 triazine (S PPT) in water at 250℃/ 3.97 MPa under nitrogen atmosphere has been investigated experimentally and theoretically. The hydr...The hydrolysis of polyphenyl 1,2,4 triazine (As PPT) and polyphenyl 1,3,5 triazine (S PPT) in water at 250℃/ 3.97 MPa under nitrogen atmosphere has been investigated experimentally and theoretically. The hydrolysis reactions were monitored by Fourier transform infrared (FT IR) and ultra violet visible (UV Vis) spectra. The results show that S PPT is remarkably stable whereas As PPT is easily hydrolyzed in water at 250℃. The identifications using FT IR, high performance liquid chromatography (HPLC), nuclear magnetic resonance ( 1H NMR) and mass spectrography (MS) confirm that terephthalic acid is the major hydrolysate of As PPT. Two model compounds, 2,5,6 triphenyltriazine and 2,4,6 triphenyltriazine, were designed to simulate the local electronic structures of As PPT and S PPT, respectively. The electronic structures were given by ab initio calculations at the RHF/4 31G level. The calculational results indicate that the triazine rings are the hydrolytically active parts and the 1,2,4 triazine ring is easier to hydrolyze in comparison with the 1,3,5 triazine ring under the same condition.展开更多
The Hosoya index of a graph is the total number of matchings in it. And the Merrifield-Simmons index is the total number of independent sets in it. They are typical examples of graph invariants used in mathematical ch...The Hosoya index of a graph is the total number of matchings in it. And the Merrifield-Simmons index is the total number of independent sets in it. They are typical examples of graph invariants used in mathematical chemistry for quantifying relevant details of molecular structure. In this paper, we obtain explicit analytical expressions for the expectations of the Hosoya index and the Merrifield-Simmons index of a random polyphenyl chain.展开更多
The Hosoya index of a graph is the total number of matchings in it.And the Merrifield-Simmons index is the total number of independent sets in it.They are typical examples of graph invariants used in mathematical chem...The Hosoya index of a graph is the total number of matchings in it.And the Merrifield-Simmons index is the total number of independent sets in it.They are typical examples of graph invariants used in mathematical chemistry for quantifying relevant details of molecular structure.In this paper,we obtain explicit analytical expressions for the expectations of the Hosoya index and the Merrifield-Simmons index of a random polyphenyl chain.展开更多
文摘A unique sliver(I)-promoted oxidation reaction of polyphenyl-cyclopentadiene is described, in which an oxygen is inserted into the cyclopentadiene-ring, forming a six-membered pyrylium cation.
基金supported by the NSFC(21301100)the Education Department Fund of Henan(13A150819)Special Fund of Nanyang Normal University(ZX2013029)
文摘The interaction of Hg^2＋ with polyphenyl quinoxaline ligand 2,3,6,7,10,11-hexaphenyldipyrazino[2,3-f：2＇,3＇-h]quinoxaline（HPQ） was investigated, and a new complex（C（49）H（32）N6Br2Cl2Hg） has been synthesized and characterized. It exhibits a 0D single-core structure,and adopts triclinic P 1 space group with a = 11.139（2）, b = 13.429（3）, c = 14.488（3）A, α =76.10（3）, β = 83.16（3）, γ = 87.36（3）o, V = 2088.4（7） A^3, Z = 2, S = 1.056, F（000） = 1104, R = 0.0417 and w R = 0.0931（I 〉 2σ（I））. Furthermore, the behavior of HPQ with Hg^2＋ in the solution was also investigated, and the result shows that HPQ was found to have excellent fluorescent selectivity for Hg^2＋ over many other metal ions（Li^＋, K^＋, Na^＋, Sr^＋, Ca^2＋, Mg^2＋, Mn^2＋, Fe^3＋, Ni^2＋, Co^2＋, Cu^2＋, Zn^2＋,Cd^2＋, Pb^2＋, Al^3＋ and Cr^3＋） based on the intermolecular charge-transfer mechanism, which makes HPQ a potential fluorescence sensor or probe for Hg^2＋.
基金the National Natural Science Foundationof China(No.2 97730 2 4 )
文摘The hydrolysis of polyphenyl 1,2,4 triazine (As PPT) and polyphenyl 1,3,5 triazine (S PPT) in water at 250℃/ 3.97 MPa under nitrogen atmosphere has been investigated experimentally and theoretically. The hydrolysis reactions were monitored by Fourier transform infrared (FT IR) and ultra violet visible (UV Vis) spectra. The results show that S PPT is remarkably stable whereas As PPT is easily hydrolyzed in water at 250℃. The identifications using FT IR, high performance liquid chromatography (HPLC), nuclear magnetic resonance ( 1H NMR) and mass spectrography (MS) confirm that terephthalic acid is the major hydrolysate of As PPT. Two model compounds, 2,5,6 triphenyltriazine and 2,4,6 triphenyltriazine, were designed to simulate the local electronic structures of As PPT and S PPT, respectively. The electronic structures were given by ab initio calculations at the RHF/4 31G level. The calculational results indicate that the triazine rings are the hydrolytically active parts and the 1,2,4 triazine ring is easier to hydrolyze in comparison with the 1,3,5 triazine ring under the same condition.
基金Supported by the Fundamental Research Funds for the Central Universities(No.20720160038)Research Projects for Young and Middle-aged Teachers of Fujian Province(No.JA15016)
文摘The Hosoya index of a graph is the total number of matchings in it. And the Merrifield-Simmons index is the total number of independent sets in it. They are typical examples of graph invariants used in mathematical chemistry for quantifying relevant details of molecular structure. In this paper, we obtain explicit analytical expressions for the expectations of the Hosoya index and the Merrifield-Simmons index of a random polyphenyl chain.
基金by the Fundamental Research Funds for the Central Universities(Grant No.20720190071).
文摘The Hosoya index of a graph is the total number of matchings in it.And the Merrifield-Simmons index is the total number of independent sets in it.They are typical examples of graph invariants used in mathematical chemistry for quantifying relevant details of molecular structure.In this paper,we obtain explicit analytical expressions for the expectations of the Hosoya index and the Merrifield-Simmons index of a random polyphenyl chain.
