14760-06-6Relevant academic research and scientific papers
Franck-Condon Dominated Cheistry. Dissociations of Silicon-Centered Radicals Prepared by Femtosecond Reduction of Their Cations in the Gas Phase
Nguyen, Viet Q.,Shaffer, Scott A.,Turecek, Frantisek,Hop, Cornelius E. C. A.
, p. 15454 - 15464 (1995)
The dimethylhydroxysilyl radical, (CH3)2Si.OH, (1) is generated in the gas phase by collisional neutralization of its cation 1+.Radical 1 undergoes extensive dissociation by C-Si bond cleavage depending on the internal energy of the precursor ion 1+.A small fraction of stable 1 is obtained from vibrationally excited 1+.Significant fractions of stable deuterio analogues of 1, (CD3)2Si.OH and (CH3)2Si.OD, are formed from their corresponding gas-phase cations.Stable CH3SiOH molecules and H2Si.OH, ., and (CH3)3Si. radicals are also formed by collisional neutralization of their cations.Collisional reionization of gas-phase 2-silapropan-2-one results in extensive dissociation of its cation radical.MP4(SDTQ)/6-31+G(d) calculations predict large Franck-Condon effects in the veritcal reduction of 1+ that deposits up to 229 kJ mol-1 in the radical formed.Isodesmic and charge-transfer reactions are used to estimate the heat of formation of 1 as -254 kJ mol-1, and its adiabatic ionization energy as 6.25 eV.The dissociation energies of the O-H and C-Si bonds in 1 are calculated as 166 and 195 kJ mol-1, respectively.
