Ustun, ElvanKaya, Cemal2019-07-272019-07-282019-07-272019-07-2820100022-328Xhttps://dx.doi.org/10.1016/j.jorganchem.2010.06.016https://hdl.handle.net/20.500.12418/9796The maximum value of the sum of the interaction constants is used as an additional constraint to solve the CO-factored force fields of tricarbonyl complexes with C-s symmetry. The solution obtained led to the equations by which carbonyl stretching force constants and CO-CO interaction constants can be calculated directly from C-O stretching frequencies of the all-(CO)-C-12-O-16 molecule. The CO-factored force constants and the C-O stretching frequencies of (CO)-C-13-O-16-substituted species were calculated for Fe(CO)(3)(-) and Fe(C4H6)(CO)(3). The results obtained were found to be very close agreement with those obtained from isotopic enrichment studies. (C) 2010 Elsevier B. V. All rights reserved.en10.1016/j.jorganchem.2010.06.016info:eu-repo/semantics/closedAccessTricarbonylsForce constantsCO-factored force fieldsInfrared spectraArticle69519-20227622732-s2.0-77955710384Q3WOS:000280847000016Q2