|
|||||
|
|
Matrix and ab initio infrared spectra of germanium carbonyls |
|
| Authors: | Antonio Feltrin Stella Nunziante Cesaro Fabio Ramondo |
| Affiliation: | a C.S. per la Termodinamica Chimica alle Alte Temperature c / o Dip. Chimica, Università La Sapienza, 00185, Rome, Italy b Dept. of Chemistry, Chemical Engineering and Materials, University of L Aquila, L'Aquila, Italy |
| Abstract: | Germanium monocarbonyl has been prepared by high-temperature vaporization of Ge with excess carbon powder or CO co-condensation and trapped in various matrices at 12 K. Fourier transform infrared spectra, ab initio (MP2 and CISD) and density function (Becke3LYP) calculations suggested a linear species with the formula GeCO. A weak feature appearing only in annealed N2 and CO matrices containing GeCO has tentatively been assigned to germanium dicarbonyl on grounds of isotopic substitution and theoretical calculations. SCF and CI methods predict a bent structure for this complex. |
| Keywords: | Infrared spectrometry, Fourier transform Germanium carbonyls Argon matrix Nitrogen matrix Ab initio calculations |
| 本文献已被 ScienceDirect 等数据库收录！ | |