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Volumn 118, Issue 48, 1996, Pages 12159-12166

Why do cationic carbon monoxide complexes have high C-O stretching force constants and short C-O bonds? Electrostatic effects, not σ-bonding

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE;

EID: 0030457334     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja960876z     Document Type: Article
Times cited : (273)

References (71)
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  • 23
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    • The importance of electrostatic interactions in determining vibrational stretch frequencies in hydrogen-bonded molecules has been emphasized: (a) Liu, S.; Dykstra, C. E. J. Phys. Chem. 1986, 90, 3097-9103.
    • (1986) J. Phys. Chem. , vol.90 , pp. 3097-9103
    • Liu, S.1    Dykstra, C.E.2
  • 24
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    • and references therein
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    • (1988) Acc. Chem. Res. , vol.21 , pp. 355-361
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  • 26
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    • +, as observed in some of the recently discovered nonclassical carbonyl cations. See ref 9 and Sodupe, M.; Bauschlicher, C. W.; Lee, T. J. Chem. Phys. Lett. 1992, 189, 266-272.
    • (1992) Chem. Phys. Lett. , vol.189 , pp. 266-272
    • Sodupe, M.1    Bauschlicher, C.W.2    Lee, T.J.3
  • 36
    • 0000767675 scopus 로고
    • 5 (M = Fe, Ru, Os) complexes (yielding geometries very similar to those found in this work) have recently been reported: Ehlers, A. W.; Frenking, G. Organometallics 1995, 14, 423-426.
    • (1995) Organometallics , vol.14 , pp. 423-426
    • Ehlers, A.W.1    Frenking, G.2
  • 44
    • 33847469896 scopus 로고    scopus 로고
    • note
    • +, calculated (MP2/6-311G*) and experimental C-O bond lengths are 1.1201 Å and 1.1047 Å, respectively (ref 35). These fairly small discrepancies are typical of those found in much of this work; i.e., calculated C-O distances are about 0.01-0.02 Å greater than the apparently highest quality experimental values.
  • 45
    • 0037493906 scopus 로고
    • Private communication Berry, R. J.; Harmony, M. D.
    • + are reported to be 1.097 26 and 1.104 74 Å, respectively: Woods, R. C. Private communication in: Berry, R. J.; Harmony, M. D. J. Mol. Spectrosc. 1988, 128, 176-194.
    • (1988) J. Mol. Spectrosc. , vol.128 , pp. 176-194
    • Woods, R.C.1
  • 55
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    • and references therein
    • Fenske, R. F. Pure Appl. Chem. 1971, 27, 61-71 and references therein.
    • (1971) Pure Appl. Chem. , vol.27 , pp. 61-71
    • Fenske, R.F.1
  • 58
    • 0038316174 scopus 로고
    • Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon Press: Oxford
    • Shriver, D. F.; Whitmire, K. H. In Comprehensive Organometallic Chemistry; Wilkinson, G., Stone, F. G. A., Abel, E. W., Eds.; Pergamon Press: Oxford, 1982; Vol. 4, p 245.
    • (1982) Comprehensive Organometallic Chemistry , vol.4 , pp. 245
    • Shriver, D.F.1    Whitmire, K.H.2
  • 60
    • 0008251301 scopus 로고
    • and ref 5
    • 2like". We believe that diminished polarization of the π-orbitals should be considered as well. Changes in orbital polarization may often be interpreted as rehybridization (and vice versa). See: Beach, D. B.; Jolly, W. L. Inorg. Chem. 1985, 24, 567-570 and ref 5.
    • (1985) Inorg. Chem. , vol.24 , pp. 567-570
    • Beach, D.B.1    Jolly, W.L.2
  • 61
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    • Jolly, P. W. In ref 48, Vol. 6, pp 3-5
    • Jolly, P. W. In ref 48, Vol. 6, pp 3-5.
  • 64
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    • Kirtley, S. W. In ref 48, Vol. 3; pp 784-789
    • Kirtley, S. W. In ref 48, Vol. 3; pp 784-789.
  • 65
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    • Kirtley, S. W. In ref 48, Vol. 3; pp 1080-1083
    • Kirtley, S. W. In ref 48, Vol. 3; pp 1080-1083.
  • 66
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    • Kirtley, S. W. In ref 48, Vol. 3; pp 1256-1260
    • Kirtley, S. W. In ref 48, Vol. 3; pp 1256-1260.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.