Matrix isolation infrared observation of HxSi(N 2)y, (x = 0, 1, 2 and y = 1, 2) transient species using a 121-nm vacuum ultraviolet photolysis source

Jay C. Amicangelo, Christopher T. Dine, Daniel G. Irwin, Cynthia J. Lee, Natalie C. Romano, Nancy L. Saxton

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Vacuum ultraviolet photolysis (121.6 nm) of silane in a nitrogen matrix at 12 K leads to the observation of several transient species, which have been characterized using Fourier transform infrared spectroscopy. Four transient species containing silicon and nitrogen have been observed (SiN2, Si(N2)2, HSiN2, and H2SiN 2), and one transient species containing only silicon and hydrogen has been observed. The assignment of the infrared bands due to each of these species is accomplished by performing isotopic substitution experiments (SiD4, 15N2, and mixtures with SiH4 and 14N2), matrix annealing experiments, UV-visible photolysis experiments, by comparison with previous experimental matrix isolation frequencies, where available, and for HSiN2 and H 2SiN2 by comparison to B3LYP/aug-cc-pVTZ-calculated vibrational frequencies. The observation and infrared assignment of the HSiN2 and H2SiN2 molecules in these experiments is significant in that HSiN2 has not been previously reported in the matrix isolation literature, and H2SiN2 has only been reported once previously by a different route of formation. The energetics of the overall formation pathways for the molecules observed in these experiments is discussed using B3LYP/aug-cc-pVTZ calculations.

Original languageEnglish (US)
Pages (from-to)3020-3030
Number of pages11
JournalJournal of Physical Chemistry A
Issue number14
StatePublished - Apr 10 2008

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry


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