Studies on Electronic Structures of Vanadium Carbonyls V(CO)n

Chem. J. Chinese Universities ›› 1989, Vol. 10 ›› Issue (12): 1215.

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Studies on Electronic Structures of Vanadium Carbonyls V(CO)_n

Guo Chunxiao¹, Chen Maiming², Wang Jingli², Chen Erting³

1. Department of Chhemistry, Jilin University, Changchun;
2. Liaoyang Chemical Fiber Engiineering College, Liaoyang;
3. Shenyang Institute of Chemical Technology, Shenyang

Received:1988-03-25 Online:1989-12-24 Published:1989-12-24

Abstract

Abstract: The relationship between electronic structures of V(CO)_n(n=1～6) with open shell system and it' s corresponding configurations were studied by restricted open shell CNDO/2 method.The diagram of orbital energy level correlation was given, which can well explain the correlation and stability of a variety of carbonyl configurations.Such a diagram of energy level correlation may not be obtained by.UHFself-consistent field method.Meanwhile the possible configurations of COstretching vi-brational frequencies obtained in infrared spectra have also been assigned.

Key words: RHF, CNDO/2, Vanadium carbonyl compound

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Guo Chunxiao, Chen Maiming, Wang Jingli, Chen Erting. Studies on Electronic Structures of Vanadium Carbonyls V(CO)_n[J]. Chem. J. Chinese Universities, 1989, 10(12): 1215.

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Studies on Electronic Structures of Vanadium Carbonyls V(CO)_n

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