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Volumn 41, Issue 18, 2002, Pages 3389-3392

Anion-π interactions: Do they exist?

Author keywords

Ab initio calculations; Anions; Noncovalent interactions; Pi interactions

Indexed keywords

CALCULATIONS; CRYSTALLOGRAPHY; ELECTRONS; NEGATIVE IONS;

EID: 0037119776     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3773(20020916)41:18<3389::AID-ANIE3389>3.0.CO;2-S     Document Type: Article
Times cited : (682)

References (42)
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    • Presented in part by us at the (Girona, Catalonia) (Book of Abstracts)
    • Presented in part by us at the "Segona Trobada de Joves Investigadors dels PaYsos Catalans" (Girona, Catalonia), 2002 (Book of Abstracts p. 41).
    • (2002) Segona Trobada de Joves Investigadors dels PaYsos Catalans , pp. 41
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    • Available from Prof. R. F. W. Bader's laboratory, McMaster University, Hamilton, ON, Canada L8S 4M1
    • Available from Prof. R. F. W. Bader's laboratory, McMaster University, Hamilton, ON, Canada L8S 4M1.
  • 34
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    • note
    • The search criteria were the following: 1) the interacting atom with any pentafluorobenzene derivative was either S, N, O, F Cl, Br, or I; 2) the type of nonbonding contact was either intramolecular or intermolecular; 3) the nonbonding contact was defined by distance criteria, i.e. less than the sum of van der Waals radii; 4) a hit was stored when a nonbonding contact existed between the interacting atom and all six carbon atoms of the aromatic ring; and 5) for the search of anion-π interactions a negative charge was defined explicitly on the interacting atom.
  • 40
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    • J. F. Luque, M. Orozco, Universitat de Barcelona, Barcelona, 1998
    • MIPp was computed using the MOPETE computer program; J. F. Luque, M. Orozco, Universitat de Barcelona, Barcelona, 1998.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.