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Citation: Zhou Li-Xin, Huang Zun-Xing, Tian An-Min, Wu Li-Ming, Hu Jian-Ming, Li Jun-Jian. Ab initio Study on the Relative Stability of C₄S^m-₄[J]. Acta Physico-Chimica Sinica, ;1998, 14(08): 752-756. doi: 10.3866/PKU.WHXB19980816 shu

Ab initio Study on the Relative Stability of C₄S^m-₄

1.
Department of Chemistry,Fuzhou University,Fuzhou 350002

Received Date: 8 October 1997
Available Online: 15 August 1998

We have used an ab initio self-consistent field(SCF) molecular orbital approach to investigate the equilibrium geometry and relative stability of C4S4m- (m=0,1,2,3,4). We found that the geometry of anions studied from m=0 to m=4 changes from non-aromatic structure to aromatic structure and finally anti-aromatic structure and that the relative stability decreases in the order of: C4S4- > C4S42- > C4S4 > C4S43- > C4S44-.
- C4Sm-4(m=0,1,2,3,4,),
- Ab initio,
- Equilibrium geometry,
- Relative stability
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沈阳化工大学材料科学与工程学院沈阳 110142

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Ab initio Study on the Relative Stability of C4Sm-4

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通讯作者: 陈斌, bchen63@163.com

Ab initio Study on the Relative Stability of C₄S^m-₄