A simple method for calculating the force fields of M(CO)(5)L and square pyramidal M(CO)(5) complexes


Kaya C.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, vol.52, no.6, pp.615-618, 1996 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 52 Issue: 6
  • Publication Date: 1996
  • Doi Number: 10.1016/0584-8539(95)01625-2
  • Title of Journal : SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
  • Page Numbers: pp.615-618

Abstract

A relationship between the interaction constant of cis-COeq-COax and the observed (CO)-C-12-O-16 stretching frequencies has been derived to solve the secular equations for M(CO5)L and M(CO)(5) complexes which belong to C-4v symmetry. The solution obtained has led to the relations by which carbonyl stretching force constants and interaction constants can be calculated directly from (CO)-C-12-O-16 stretching frequencies. The calculated force constants for complexes containing a wide variety of M and L have been found to be in excellent agreement with those obtained from isotopic enrichment studies.