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, cilt.52, ss.615-618, 1996 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 52 Konu: 6
  • Basım Tarihi: 1996
  • Doi Numarası: 10.1016/0584-8539(95)01625-2
  • Dergi Adı: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
  • Sayfa Sayıları: ss.615-618

Özet

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.