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Phys. Chem. Chem. Phys., 2009, 11, 10403 - 10408, DOI: 10.1039/b912703h

Structures of isolated Co2(alcohol)1 cluster anions

P. M. Bialach, M. Braun, A. Lüchow and M. Gerhards

Cobalt–alcohol cluster anions of the form Co2(alcohol)1- (alcohol = methanol, ethanol, propanol) are produced in a supersonic beam by using pulsed laser vaporization. The clusters are studied with IR spectroscopy in order to obtain vibrational spectra in the OH stretching region. The mechanisms of photodetachment and photodissociation are discussed. By comparing with DFT calculations the vibrational spectra are explained and structures are obtained in which the OH group of the alcohols is directed on the Co–Co bond. The reliability of DFT calculations with respect to clusters containing a Co2- dimer is further confirmed by comparison with high level CASPT2 calculations.

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