A quantitative interpretation of mass spectra of complex organic compounds so far is notvery perfect and needs some further investigation. In this paper a mechanism of cleft-rate-determining-steps of aromatic conjugat...A quantitative interpretation of mass spectra of complex organic compounds so far is notvery perfect and needs some further investigation. In this paper a mechanism of cleft-rate-determining-steps of aromatic conjugated polyenic acid, methyl benzoate, methyl phenyl ketone,benzonitrile and aniline is proposed, and various quantum parameters of molecular ions ofaromatic conjugated polyenic compounds, together with their framents are calculated bymeans of CNDO/2 method. Through the process of calculation, the peak-height of mass spectracan be quantitatively interpreted, which means that the main factors which influence the cleftforms of simple cleavage of mass spectra of conjugated compounds given by the authorsmight be true to some extent.展开更多
Although polyimide (PI) and polyphenylquinoxaline (PPQ) are both heat resistant polymers, their hydrolytic stabilities are quite different. In this paper, the electron densities of two model compounds——N-phenylphtha...Although polyimide (PI) and polyphenylquinoxaline (PPQ) are both heat resistant polymers, their hydrolytic stabilities are quite different. In this paper, the electron densities of two model compounds——N-phenylphthalimide and 2,3-diphenylquinoxaline are calculated by moans of CNDO/2 method. On the other hand, hydrolysis of model compounds and polymers is carried out. The theoretical calculation and experiments both prove that PPQ has excellent hydrolytic stability while PI is completely hydrolyzed under the same experimental condition. The mechanism of hydrolysis is also predicted.展开更多
文摘A quantitative interpretation of mass spectra of complex organic compounds so far is notvery perfect and needs some further investigation. In this paper a mechanism of cleft-rate-determining-steps of aromatic conjugated polyenic acid, methyl benzoate, methyl phenyl ketone,benzonitrile and aniline is proposed, and various quantum parameters of molecular ions ofaromatic conjugated polyenic compounds, together with their framents are calculated bymeans of CNDO/2 method. Through the process of calculation, the peak-height of mass spectracan be quantitatively interpreted, which means that the main factors which influence the cleftforms of simple cleavage of mass spectra of conjugated compounds given by the authorsmight be true to some extent.
文摘Although polyimide (PI) and polyphenylquinoxaline (PPQ) are both heat resistant polymers, their hydrolytic stabilities are quite different. In this paper, the electron densities of two model compounds——N-phenylphthalimide and 2,3-diphenylquinoxaline are calculated by moans of CNDO/2 method. On the other hand, hydrolysis of model compounds and polymers is carried out. The theoretical calculation and experiments both prove that PPQ has excellent hydrolytic stability while PI is completely hydrolyzed under the same experimental condition. The mechanism of hydrolysis is also predicted.
