메뉴 건너뛰기




Volumn 855, Issue 1-3, 2008, Pages 18-26

σ-Borane complexes of nickel, palladium and platinum: A theoretical study

Author keywords

Bonding analysis; Borane complexes; DFT calculations; Structure

Indexed keywords


EID: 41549138702     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.12.041     Document Type: Article
Times cited : (5)

References (84)
  • 1
    • 0003471615 scopus 로고    scopus 로고
    • Fackler J.P. (Ed), Kluwer Academic/Plenum Publishers, New York
    • Kubas G.J. Metal Dihydrogen and σ-Bond Complexes. In: Fackler J.P. (Ed) (2001), Kluwer Academic/Plenum Publishers, New York
    • (2001) Metal Dihydrogen and σ-Bond Complexes
    • Kubas, G.J.1
  • 65
    • 41549165411 scopus 로고    scopus 로고
    • E.J. Baerends, J.A. Autschbach, A. Berces, C. Bo, P.M. Boerrigter, L. Cavallo, D.P. Chong, L. Deng, R.M. Dickson, D.E. Ellis, L. Fan, T.H. Fischer, C. Fonseca Guerra, S.J.A. van Gisbergen, J.A. Groeneveld, O.V. Gritsenko, M. Grüning, F.E. Harris, P. van den Hoek, H. Jacobsen, G. van Kessel, F. Kootstra, E. van Lenthe, V.P. Osinga, S. Patchkovskii, P.H.T. Philipsen, D. Post, C.C. Pye, W. Ravenek, P. Ros, P.R.T. Schipper, G. Schreckenbach, J.G. Snijders, M. Sola, M. Swart, D. Swerhone, G. te Velde, P. Vernooijs, L. Versluis, O. Visser, E. Wezenbeek, G. Wiesenekker, S.K. Wolff, T.K. Woo, T. Ziegler, ADF, Scientific Computing & Modelling, NV, The Netherlands, 2006.
    • E.J. Baerends, J.A. Autschbach, A. Berces, C. Bo, P.M. Boerrigter, L. Cavallo, D.P. Chong, L. Deng, R.M. Dickson, D.E. Ellis, L. Fan, T.H. Fischer, C. Fonseca Guerra, S.J.A. van Gisbergen, J.A. Groeneveld, O.V. Gritsenko, M. Grüning, F.E. Harris, P. van den Hoek, H. Jacobsen, G. van Kessel, F. Kootstra, E. van Lenthe, V.P. Osinga, S. Patchkovskii, P.H.T. Philipsen, D. Post, C.C. Pye, W. Ravenek, P. Ros, P.R.T. Schipper, G. Schreckenbach, J.G. Snijders, M. Sola, M. Swart, D. Swerhone, G. te Velde, P. Vernooijs, L. Versluis, O. Visser, E. Wezenbeek, G. Wiesenekker, S.K. Wolff, T.K. Woo, T. Ziegler, ADF, Scientific Computing & Modelling, NV, The Netherlands, 2006.
  • 66
    • 41549096138 scopus 로고    scopus 로고
    • G. Schaftenaar, MOLDEN3.4 CAOSCAMM Center, The Netherlands, 1998.
    • G. Schaftenaar, MOLDEN3.4 CAOSCAMM Center, The Netherlands, 1998.
  • 81
    • 41549096137 scopus 로고    scopus 로고
    • L. Pauling, The Nature of the Chemical Bond, third ed., Cornell University Press, New York, 1960, p. 239. The relationship of bond order to length is given by dn = d1 - 0.71 log n where n is the bond order, d1 and dn are the lengths of bonds with bond order 1 and n, respectively. The lengths of single B-H bond is 1.19 Å and therefore values of n for B-H bond are 0.56 in 1NiEt, 0.59 in 1PdEt, 0.04 in 1PtEt, 0.59 in 2NiMe, 0.63 in 2PdMe, 0.25 in 2PtMe.
    • L. Pauling, The Nature of the Chemical Bond, third ed., Cornell University Press, New York, 1960, p. 239. The relationship of bond order to length is given by dn = d1 - 0.71 log n where n is the bond order, d1 and dn are the lengths of bonds with bond order 1 and n, respectively. The lengths of single B-H bond is 1.19 Å and therefore values of n for B-H bond are 0.56 in 1NiEt, 0.59 in 1PdEt, 0.04 in 1PtEt, 0.59 in 2NiMe, 0.63 in 2PdMe, 0.25 in 2PtMe.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.