Introduction α-Aminonitrile(or aminoacetonitrile) is a kind of reactive bioorganic molecules, and it may exist in insterstellar clouds. its importance lies in that a-aminonitrile may play a role in the generation of ...Introduction α-Aminonitrile(or aminoacetonitrile) is a kind of reactive bioorganic molecules, and it may exist in insterstellar clouds. its importance lies in that a-aminonitrile may play a role in the generation of large carbon-nitrogen chain molecules. By means of flash vacuum thermolysis and gas-solid reaction (FVT-GSR) tech-nique, Guillemin, et al., studied the thermolysis of a-aminonitrile, they considered that the elimination of HCN (shown as following) is a key step in many reactions of α-展开更多
AM1 and PM3 methods using the unrestricted Hartree-Fock (UHF) calculations have been applied to study the thermolysis of dicyanofuroxan. The results obtained show that the reaction proceeds to product through a two-st...AM1 and PM3 methods using the unrestricted Hartree-Fock (UHF) calculations have been applied to study the thermolysis of dicyanofuroxan. The results obtained show that the reaction proceeds to product through a two-step pathway where the second one is the rate-determining step.展开更多
基金Supported by the National Natural Science Foundation of China Jiangxi Province.
文摘Introduction α-Aminonitrile(or aminoacetonitrile) is a kind of reactive bioorganic molecules, and it may exist in insterstellar clouds. its importance lies in that a-aminonitrile may play a role in the generation of large carbon-nitrogen chain molecules. By means of flash vacuum thermolysis and gas-solid reaction (FVT-GSR) tech-nique, Guillemin, et al., studied the thermolysis of a-aminonitrile, they considered that the elimination of HCN (shown as following) is a key step in many reactions of α-
文摘AM1 and PM3 methods using the unrestricted Hartree-Fock (UHF) calculations have been applied to study the thermolysis of dicyanofuroxan. The results obtained show that the reaction proceeds to product through a two-step pathway where the second one is the rate-determining step.
