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, cilt.640, ss.37-40, 2001 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 640
  • Basım Tarihi: 2001
  • Doi Numarası: 10.1016/s0022-328x(01)01170-6
  • Dergi Adı: JOURNAL OF ORGANOMETALLIC CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.37-40
  • Anahtar Kelimeler: pentacarbonyls, infrared spectra, CO-factored force field, force constants, CR(CO)5(H2), DIHYDROGEN
  • Sivas Cumhuriyet Üniversitesi Adresli: Evet

Özet

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.