Four geometric mer-isomers in the [Co(2,3-tri)(cmen)Cl]2+ system have been synthesized and well separated (2,3-tri = N-(3-aminoethyl)-1,3-propanediamine; cmen = 1,2-di- aminopropane). Their structures in DMSO-d6 solut...Four geometric mer-isomers in the [Co(2,3-tri)(cmen)Cl]2+ system have been synthesized and well separated (2,3-tri = N-(3-aminoethyl)-1,3-propanediamine; cmen = 1,2-di- aminopropane). Their structures in DMSO-d6 solution have been uniquely assigned by using 2D- NMR techniques (gCOSY and NOESY).展开更多
In this paper a series of ab initio SCF and configuration calculations were reported for the ground state and excited states X^2E, A^2E,~2B_2 and ~2A_1 of allene.For ground state X^2E Jahn- Teller distorsion was discu...In this paper a series of ab initio SCF and configuration calculations were reported for the ground state and excited states X^2E, A^2E,~2B_2 and ~2A_1 of allene.For ground state X^2E Jahn- Teller distorsion was discussed and a twisted angle of 50° and a torsional barriers of 0.21—0.51 eV were derived.Based on calculated results,the experimental photoelectron spectrum of allene has been assigned.展开更多
文摘Four geometric mer-isomers in the [Co(2,3-tri)(cmen)Cl]2+ system have been synthesized and well separated (2,3-tri = N-(3-aminoethyl)-1,3-propanediamine; cmen = 1,2-di- aminopropane). Their structures in DMSO-d6 solution have been uniquely assigned by using 2D- NMR techniques (gCOSY and NOESY).
基金Project supported by the National Natural Science Foundation of China.
文摘In this paper a series of ab initio SCF and configuration calculations were reported for the ground state and excited states X^2E, A^2E,~2B_2 and ~2A_1 of allene.For ground state X^2E Jahn- Teller distorsion was discussed and a twisted angle of 50° and a torsional barriers of 0.21—0.51 eV were derived.Based on calculated results,the experimental photoelectron spectrum of allene has been assigned.
