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Volumn 18, Issue 40, 2012, Pages 12733-12748

Transition-metal complexes of tetrylones [(CO) 5W-E(PPh 3) 2] and tetrylenes [(CO) 5W-NHE] (E=C-Pb): A theoretical study

Author keywords

bonding analysis; density functional calculations; donor acceptor systems; energy decomposition analysis; tetrylene; tetrylone

Indexed keywords

BONDING ANALYSIS; DONOR-ACCEPTOR SYSTEM; ENERGY DECOMPOSITION ANALYSIS; TETRYLENE; TETRYLONE;

EID: 84867059671     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201200741     Document Type: Article
Times cited : (71)

References (176)
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    • in (Eds.: E. D. Clifford, G. Frenking, S. K. Kwang, E. S. Gustavo), Elsevier, Amsterdam
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    • (2005) Theory and Applications of Computational Chemistry , pp. 291
    • Lein, M.1    Frenking, G.2
  • 138
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    • 2. EDA results for the dihalogens show that the weak F-F bond comes from Pauli repulsion between the σ electrons rather than lone-pair repulsion as is often stated:, C. Esterhuysen, G. Frenking, Theor. Chem. Acc. 2004, 111, 381; Erratum: Theoret. Chem. Acc. 2005, 113, 294.
    • (2004) Theor. Chem. Acc. , vol.111 , pp. 381
    • Esterhuysen, C.1    Frenking, G.2
  • 141
    • 33845734259 scopus 로고    scopus 로고
    • A previous examination of the strength of the EDA energy terms that come from occupied σ and π orbitals has shown that the electrostatic interactions of electrons that occupy π orbitals of one fragment with the electrons and nuclei of other fragments are weakly repulsive, whereas electrons in σ orbitals lead to attractive interactions. This is because of the much better overlap of the σ orbital with the nuclei of the other fragment:, A. Krapp, F. M. Bickelhaupt, G. Frenking, Chem. Eur. J. 2006, 12, 9196.
    • (2006) Chem. Eur. J. , vol.12 , pp. 9196
    • Krapp, A.1    Bickelhaupt, F.M.2    Frenking, G.3
  • 152
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    • further references therein.
    • G. Frenking, N. Fröhlich, Chem. Rev. 2000, 100, 717; and further references therein.
    • (2000) Chem. Rev. , vol.100 , pp. 717
    • Frenking, G.1    Fröhlich, N.2
  • 153
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    • The complexes [ClTM-NHE] with M=Cu, Ag, Au and E=C, Si, Ge have been studied theoretically by, C. Boehme, G. Frenking, Organometallics 1998, 17, 5801
    • (1998) Organometallics , vol.17 , pp. 5801
    • Boehme, C.1    Frenking, G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.