Switching of global minima of novel germylenic reactive intermediates via halogens (X): C2GeH2 vs. C2GeHX at ab initio and DFT levels

Journal of Organometallic Chemistry

Volumn 691, Issue 13, 2006, Pages 2933-2944

  Kassaee, M Z ^a   Musavi, S M ^a   Ghambarian, M ^a   Zanjani, M R Khalili ^a  

^a TARBIAT MODARES UNIVERSITY   (Iran)

Author keywords

Ab initio; C2GeH2; C2GeHBr; C2GeHCl; C2GeHF; DFT; Ethynylhalogermylene; Germylene; Haloethynylgermylene; Halogermacyclopropenylidene; LUMO HOMO; NICS; Vinylidengermylene

Indexed keywords

ACRYLICS; AROMATIC COMPOUNDS; HALOGEN COMPOUNDS; ISOMERS; POTENTIAL ENERGY;

AB INITIO; C2GEH2; GERMYLENE; HALOGERMACYCLOPROPENYLIDENE; LUMO-HOMO; NICS; VINYLIDENGERMYLENE;

ORGANOMETALLICS;

EID: 33646575623     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2006.02.038     Document Type: Article

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