A new method for calculating the CO-factored force constants of pentacarbonyliron
Abstract
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.
Source
JOURNAL OF ORGANOMETALLIC CHEMISTRYVolume
658Issue
01.FebCollections
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