Please use this identifier to cite or link to this item:
http://nopr.niscair.res.in/handle/123456789/2163
Title: | A new approach to predicting the carbonyl stretching frequencies of Co₂(CO)₈ with D₃d symmetry |
Authors: | Kaya, Cemal Karakaş, Duran Üstün, Elvan |
Issue Date: | 2007 |
Publisher: | CSIR |
Abstract: | This paper describes a method for determining C-O stretching frequencies of dicobalt octacarbonyl belonging to D₃d point group. The method is based on the variation of fundamental C-O stretching frequencies and C-O stretching force constants of axially substituted X₃MCo(CO)₄ (M=Si, Ge, Sn and Pb; X=Cl, Ph and Et) molecules with the dipole moment of X₃M-Co(CO)₄ bond. Frequencies of a1ɡ⁽¹⁾, a₂ս⁽²⁾ and ℯս modes have been evaluated from the graph of frequency versus dipole moment, and the frequencies of a1g⁽²⁾ and ℯɡ modes determined from the equations derived by using the CO-factored force field. The calculated frequencies have been found to be consistent with the experimental values. With the use of the calculated frequencies, the C-O factored force constants of Co₂(CO)₈ with D₃d symmetry have been calculated. In addition, frequencies of mono-¹³CO substituted species of Co₂(CO)₈ have been estimated and compared with observed frequencies of the species. |
Page(s): | 1388-1392 |
URI: | http://hdl.handle.net/123456789/2163 |
ISSN: | 0376-4710 |
Appears in Collections: | IJC-A Vol.46A(09) [September 2007] |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
IJCA 46A(9) 1388-1392.pdf | 122.98 kB | Adobe PDF | View/Open |
Items in NOPR are protected by copyright, with all rights reserved, unless otherwise indicated.