TITLE

An ab initio investigation on aromaticities in semiconductor systems

AUTHOR(S)
Li, Si-Dian; Yu, Hong-Lang; Wu, Hai-Shun; Jin, Zhi-Hao
PUB. DATE
December 2002
SOURCE
Journal of Chemical Physics;12/1/2002, Vol. 117 Issue 21, p9543
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Second-order Moller-Plesset perturbation theory investigations indicate that the highly strained three- and four-membered semiconductor ring systems A[sub 3]R[sup +, sub 3], A[sub 2]BR[sup +, sub 3], GeSiCR[sup +, sub 3] A[sub 3]R[sub 3]Ha, and A[sub 4]R[sup 2+, sub 4] (A,B=C,Si,Ge; R=H, SiH[sub 3]; Ha=F, Cl, Br) exhibit aromaticities featured with the delocalized π orbitals perpendicular to the ring planes.
ACCESSION #
7903409

 

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