Structure determination of the CO−CI2 van der Waals complex

Autor: S. W. Bunte, J. B. Miller, Z. S. Huang, J. E. Verdasco, C. Wittig, R. A. Beaudet
Rok vydání: 1992
Zdroj: Optical Society of America Annual Meeting.
DOI: 10.1364/oam.1992.tul3
Popis: High resolution rovibrational spectra of the weakly bonded CO−C12 complex have been recorded in the 2143 cm-1 region by exciting the CO chromophore with a tunable diode laser. The spectra indicate that CO−C12 is linear and semi-rigid. By fitting the data to a linear molecule Hamiltonian, the following constants (in cm-1) were obtained: νO= 2149.5424(4), B″= 0.0315823(39), B′ = 0.0314867(52), D J ″ = 4.37(25) × 10−8, and D J ′ = 4.58(35) × 10−8. The distance between the CO and Cl2 centers of mass is approximately 4.78 Å. The orientation of CO is not determined experimentally. However, Cl2 appears to act as a classical six-electron acceptor, while CO behaves like a weak Lewis base, donating charge from the carbon side via the weakly antibonding 5σ orbital, thereby raising the CO vibrational frequency.
Databáze: OpenAIRE