CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Unidad Ejecutora - UE
Matrix Photochemical Study and Conformational Analysis of CH3C(O)NCS and CF3C(O)NCS
LUIS A. RAMOS; SONIA E. ULIC; ROSANA M. ROMANO; HELMUT BECKERS; HELGE WILLNER; CARLOS O. DELLA VÉDOVA
JOURNAL OF PHYSICAL CHEMISTRY A
AMER CHEMICAL SOC
Lugar: Washington; Año: 2014 vol. 118 p. 607 - 607
The vapor of acetyl isocyanide, CH3C(O)NCS,and trifluoroacetyl isocyanide, CF3C(O)NCS, were isolated insolid Ar at 15 K. The existence of rotational isomerism wasconfirmed when the matrixes were irradiated with broad-bandUV−vis light (200 ≤ λ ≤ 800 nm) and also by temperaturedependentAr-matrix IR spectroscopy. The initial spectra showed the vapor of CH3C(O)NCS and CF3C(O)NCS consist of two conformers syn−syn and syn−anti (with the C=O bond synwith respect to the C−H or C−F bond and syn or anti with respect to the N=C double bond). When CH3C(O)NCS is irradiated, simultaneously with the randomization process,H2CCO and HSCN are produced. In the case of the photolysis of CF3C(O)NCS, the main products are CF3NCS and CO. The assignment of the IR bands to the different photoproducts was made on the basis of the usual criteria, taking account reported antecedents in the literature.