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Volumn 126, Issue 5, 2004, Pages 1465-1477

Choice of Coordination Number in d10 Complexes of Group 11 Metals

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATION REACTIONS; DEFORMATION; IONS; PROBABILITY DENSITY FUNCTION;

EID: 1042276603     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja038416a     Document Type: Article
Times cited : (187)

References (41)
  • 18
    • 1042293856 scopus 로고    scopus 로고
    • note
    • If the order in which these two energy contributions are calculated is inverted, the resulting values are different, but the bending energy is always seen to be more important than the stretching one. Thus, in the rest of this paper, we adopt the convention of calculating always bending energies at the bond distances of the lower coordination number and the stretching energies at the bond angles of the higher coordination number.
  • 26
    • 1042270742 scopus 로고    scopus 로고
    • note
    • 2 = 0,999 for 66 data sets.
  • 34
    • 1042305483 scopus 로고    scopus 로고
    • note
    • 2 = 0,999 for 126 ligand association reactions.
  • 41
    • 1042293854 scopus 로고    scopus 로고
    • note
    • 2+ (9.1, 8.5, and 12.9 kcal/mol for Zn, Cd, and Hg, respectively), and these differences can be blamed responsible for the distribution of coordination numbers among the divalent ions of these metals, since dicoordination is the most common one for Hg but the less common one for Zn and Cd. according to our structural database searches.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.