A new method for calculating the CO-factored force constants of pentacarbonyliron

Zengin N., Kaya C.

JOURNAL OF ORGANOMETALLIC CHEMISTRY, cilt.658, ss.176-180, 2002 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 658
  • Basım Tarihi: 2002
  • Doi Numarası: 10.1016/s0022-328x(02)01649-2
  • Dergi Adı: JOURNAL OF ORGANOMETALLIC CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.176-180
  • Sivas Cumhuriyet Üniversitesi Adresli: Hayır

Özet

Using an analytical approach we were able to obtain a valid solution to the CO-factored force field of Fe(CO)(5). The solution led to the relations which allow direct calculation of the CO-factored force constants from C-O stretching frequencies of the all-(CO)-C-12-O-16 molecule. The force constants calculated from these relations were used to estimate C-O stretching frequencies of (CO)-C-13-O-16- substituted species of Fe(CO)(5). The results were found to be in very close agreement with those obtained from isotopic spectra. (C) 2002 Elsevier Science B.V. All rights reserved.