Investigations of silicon-nitrogen hydrides from reaction of nitrogen atoms with silane: experiments and calculations

The Journal of Physical Chemistry. a
Wei-Kan ChenShih-Huang Lee

Abstract

Using a quadrupole mass filter and vacuum-ultraviolet ionization, we measured the time-of-flight spectra of species at mass-to-charge ratios of m/ z = 45-42 from the reaction of N + SiH 4 in crossed molecular beams. Species with m/ z = 44 and 43 correspond to reaction products HSiNH/SiNH 2 and HSiN/HNSi, respectively; species with m/ z = 45 and 42 are assigned to isotopic variants and daughter ions, respectively, of those two reaction products. We measured the photoionization yields and branching ratios for dissociative ionization of reaction products as a function of photoionization energy. The ionization thresholds of products HSiNH/SiNH 2 and HSiN/HNSi were determined to be 6.7 and 9.2 eV, respectively. Furthermore, we calculated the equilibrium structures, electronic energies, and vibrational wavenumbers of various silicon-nitrogen hydrides H x SiNH y ( x + y = 0-3) using quantum-chemical methods. SiNH 2 (X (2)B 2) and HNSi (X (1)Sigma (+)) are more stable than HSiNH (X (2)A') and HSiN (X (1)Sigma (+)) by 0.82 and 2.81 eV, respectively. SiNH 2 (X (2)B 2), HSiNH (X (2)A'), HNSi (X (1)Sigma (+)), and HSiN (X (1)Sigma (+)) have adiabatic ionization energies of 6.81, 8.19, 10.21, and 10.23 eV, respectively. These experimental a...Continue Reading

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Citations

Mar 19, 2009·The Journal of Chemical Physics·Maria C LindHenry F Schaefer
Dec 3, 2008·The Journal of Chemical Physics·I-Chung LuShih-Huang Lee
Mar 27, 2013·Journal of Molecular Modeling·Muneerah M Al MogrenMajdi Hochlaf
Mar 26, 2011·Physical Chemistry Chemical Physics : PCCP·Shih-Huang LeeChu-Chun Hsieh
Oct 18, 2013·The Journal of Physical Chemistry. a·Kyle N CrabtreeMichael C McCarthy

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