Journal of Physical Chemistry A, Vol.107, No.13, 2329-2333, 2003
Matrix isolation Fourier transform infrared spectroscopic and density functional theoretical studies of the reactions of chromium atoms and acetylene
The reactions between chromium atoms and acetylene have been investigated in solid argon with infrared absorption spectroscopy. It is found that the ground-state chromium atoms reacted with acetylene to form the metallocyclopropene Cr(C2H2) molecule spontaneously on annealing. The Cr(C2H2) molecule underwent photochemical rearrangement to the alkynyl hydride HCrCCH molecule upon ultraviolet-visible irradiation. The two products were identified on the basis of isotopic IR studies with (C2H2)-C-13 and C2D2, and density functional theory calculations.