Isomers of SNO2: Production and infrared spectra of cis- and trans-OSNO from irradiated inert matrices containing OCS and NO2

摘要: New species cis- and trans-OSNO, designated c-OSNO t-OSNO, respectively, are produced identified with infrared absorption spectra when an argon or nitrogen matrix containing OCS NO2 is irradiated laser emission at 248 nm. Lines 1156.1 1454.4 cm−1 assigned to those 1178.0 1459.0 t-OSNO in solid N2. 1154.9 1450.8 1181.2 1456.0 Ar; further lines associated minor sites identified. Assignments of spectral based on results both experiments 15N- 18O-isotopic substitution theoretical calculations using density-functional theories, B3LYP aug-cc-pVTZ basis set; these predict the geometry, energy, vibrational frequencies, intensities SNO2 as four isomers: C2v-SNO2, t-SONO, c-OSNO, increasing order stability. Mechanisms proposed rationalize that and...