Detection and characterization of singly deuterated silylene, SiHD, via optical spectroscopy

Damian L. Kokkin, Tongmei Ma, Timothy Steimle, Trevor J. Sears

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Singly deuterated silylene has been detected and characterized in the gas-phase using high-resolution, two-dimensional, optical spectroscopy. Rotationally resolved lines in the 000X1A′→A1A″ band are assigned to both c-type perpendicular transition and additional parallel, axis-switching induced bands. The extracted rotational constants were combined with those for SiH2 and SiD2 to determine an improved equilibrium bond length, rSiH, and bond angle, θ, of 1.5137 ± 0.0003 Å and 92.04° ± 0.05°, and 1.4853 ± 0.0005 Å and 122.48° ± 0.08° for the X1A′0,0,0 and A1A″(0,0,0) state respectively. The dispersed fluorescence consists of a long progression in the A1A″(0,0,0)→X1A′(0,ν2,0) emission which was analyzed to produce vibrational parameters. A strong quantum level dependence of the rotationally resolved radiative decay curves is analyzed.

Original languageEnglish (US)
Article number244304
JournalJournal of Chemical Physics
Volume144
Issue number24
DOIs
StatePublished - Jun 28 2016

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Bond length
Gases
Fluorescence
progressions
spectroscopy
vapor phases
fluorescence
high resolution
decay
curves
Optical spectroscopy

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Detection and characterization of singly deuterated silylene, SiHD, via optical spectroscopy. / Kokkin, Damian L.; Ma, Tongmei; Steimle, Timothy; Sears, Trevor J.

In: Journal of Chemical Physics, Vol. 144, No. 24, 244304, 28.06.2016.

Research output: Contribution to journalArticle

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abstract = "Singly deuterated silylene has been detected and characterized in the gas-phase using high-resolution, two-dimensional, optical spectroscopy. Rotationally resolved lines in the 000X1A′→A1A″ band are assigned to both c-type perpendicular transition and additional parallel, axis-switching induced bands. The extracted rotational constants were combined with those for SiH2 and SiD2 to determine an improved equilibrium bond length, rSiH, and bond angle, θ, of 1.5137 ± 0.0003 {\AA} and 92.04° ± 0.05°, and 1.4853 ± 0.0005 {\AA} and 122.48° ± 0.08° for the X1A′0,0,0 and A1A″(0,0,0) state respectively. The dispersed fluorescence consists of a long progression in the A1A″(0,0,0)→X1A′(0,ν2,0) emission which was analyzed to produce vibrational parameters. A strong quantum level dependence of the rotationally resolved radiative decay curves is analyzed.",
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