Infrared absorption spectroscopy of the weakly bonded carbon monoxide-chlorine complex
| Autor: | Z. S. Huang, Curt Wittig, J. E. Verdasco, Steven W. Bunte, Robert A. Beaudet, J. B. Miller |
|---|---|
| Rok vydání: | 1992 |
| Předmět: |
chemistry.chemical_classification
Absorption spectroscopy General Engineering Infrared spectroscopy Rotational–vibrational spectroscopy Antibonding molecular orbital Acceptor Crystallography chemistry Computational chemistry Molecular vibration Rotational spectroscopy Physical and Theoretical Chemistry Inorganic compound |
| Zdroj: | The Journal of Physical Chemistry. 96:4140-4143 |
| ISSN: | 1541-5740 0022-3654 |
| DOI: | 10.1021/j100190a005 |
| Popis: | High-resolution rovibrational absorption spectra of the weakly bonded CO-Cl{sub 2} complex have been recorded in the 2143-cm{sup {minus}1} region by exciting the CO chromophore with a tunable diode laser. The spectra indicate that CO-Cl{sub 2} is linear and semirigid. By fitting the data to a linear-molecule Hamiltonian, the following constants (in cm{sup {minus}1}) were obtained: {nu}{sub o} = 2149.5424(4), B{double_prime} = 0.0315823 (39), B{prime} = 0.0314867 (52), D{sub J}{double_prime} = 4.37 (25) {times} 10{sup {minus}8}, and D{sub J}{prime} = 4.58 (35) {times} 10{sup {minus}8}. The distance between the CO and Cl{sub 2} centers of mass is approximately 4.78 {angstrom}. The orientation of CO is not determined experimentally. However, Cl{sub 2} appears to act as a classical {sigma}-electron acceptor, while CO behaves like a weak Lewis base, donating charge from the carbon side via the weakly antibonding 5{sigma} orbital, thereby raising the CO vibrational frequency. 15 refs., 2 figs., 2 tabs. |
| Databáze: | OpenAIRE |
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