Abstract: | The calculated anharmonic frequencies and intensities of simultaneous vibrational transitions in CO2−H2O and (CO2)2−H2O hydrogen-bonded complexes are compared with known experimental data. Hydrogen-bonded complexes form in liquid CO2 solutions of water under normal conditions, unlike the gas phase in which the CO2 and H2O molecules are coupled by van der Waals bonds. The majority of these complexes are 2∶1 complexes.
N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences. Translated fromZhurnal Strukturnoi Khimii, Vol. 36, No. 2, pp. 375–379, March–April, 1995.
Translated from E. Taskaeva |