Force constant calculations for octahedral complexes of the type M(CO)(5)L, based on the CO-factored force field


Karakas D. , Kaya C.

JOURNAL OF ORGANOMETALLIC CHEMISTRY, vol.640, pp.37-40, 2001 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 640
  • Publication Date: 2001
  • Doi Number: 10.1016/s0022-328x(01)01170-6
  • Title of Journal : JOURNAL OF ORGANOMETALLIC CHEMISTRY
  • Page Numbers: pp.37-40

Abstract

Using the maximum value of the sum of the interaction constants, the CO-factored force field of octahedral M(CO)(5)L molecules was solved to give the relations which allow direct calculation of force constants from C-O stretching frequencies of the all-(CO)-C-12-O-16 molecule. The force constants calculated by these relations were used to predict C-O stretching frequencies of isotopically enriched species of some complexes of the type M(CO)(5)L. The results obtained showed that there exists a very good agreement between observed and calculated frequencies. This led us to conclude that the solution presented for the force field of M(CO)(5)L molecules is a valid solution. (C) 2001 Elsevier Science B.V. All rights reserved.