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Volumn 12, Issue 5, 2006, Pages 563-568

Structure and bonding of methyl alkali metal molecules

Author keywords

Alkali metals; Bonding theory; Density functional calculations; Lithium; Polar bonds

Indexed keywords

ALKALI METAL; METHYL GROUP; ORGANOLITHIUM COMPOUND; ORGANOMETALLIC COMPOUND; POTASSIUM DERIVATIVE; RUBIDIUM; SODIUM DERIVATIVE;

EID: 33746412907     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-005-0056-0     Document Type: Article
Times cited : (11)

References (37)
  • 7
    • 0004238947 scopus 로고
    • Wiley-Interscience, New York
    • Bauer W (1995) Lithium Chemistry. Wiley-Interscience, New York
    • (1995) Lithium Chemistry
    • Bauer, W.1
  • 22
    • 0001617965 scopus 로고
    • Angew Chem Int Ed Engl 33:1129-1140
    • Lambert C, Schleyer PvR (1994) Angew Chem 106:1187-1199; Angew Chem Int Ed Engl 33:1129-1140
    • (1994) Angew Chem , vol.106 , pp. 1187-1199
    • Lambert, C.1    Schleyer, Pv.R.2
  • 30
  • 31
    • 33746403793 scopus 로고    scopus 로고
    • note
    • The description of the MO in terms of fragment MO coefficients in stead of Gross Mulliken contributions yields the same picture but it has the disadvantage of not being normalized, that is, the figures do not add up to 1 (or to 100%)
  • 33
    • 0037138646 scopus 로고    scopus 로고
    • The C-M bond distance also increases along Li-Rb because of the increasing number of metal core shells that enter into Pauli repulsion with closed shells on the methyl fragment. For a detailed discussion of how Pauli repulsion affects bond distances, see:
    • The C-M bond distance also increases along Li-Rb because of the increasing number of metal core shells that enter into Pauli repulsion with closed shells on the methyl fragment. For a detailed discussion of how Pauli repulsion affects bond distances, see: Bickelhaupt FM, DeKock RL, Baerends EJ (2002) J Am Chem Soc 124:1500-1505
    • (2002) J Am Chem Soc , vol.124 , pp. 1500-1505
    • Bickelhaupt, F.M.1    DeKock, R.L.2    Baerends, E.J.3
  • 34
    • 33746417571 scopus 로고    scopus 로고
    • note
    • More subtle effects begin to play a role from K to Rb as the covalent character of the bond, and especially changes therein, become smaller


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.