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

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 000X˜1A'→A˜1A" 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 X˜1A'(0,0,0) and A˜1A"(0,0,0) state respectively. The dispersed fluorescence consists of a long progression in the A˜1A"(0,0,0)→X˜1A'(0,ν2,0) emission which was analyzed to produce vibrational parameters. Furthermore, a strong quantum level dependence of the rotationally resolved radiative decay curves is analyzed.

Authors:
;  [1];  [2];  [2]
+ Show Author Affiliations
  1. Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., Stony Brook, NY (United States)
  2. Arizona State Univ., Tempe, AZ (United States)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1263914
Report Number(s):
BNL-112357-2016-JA
Journal ID: ISSN 0021-9606; R&D Project: CO006; KC0301020
Grant/Contract Number:  
SC00112704
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 144; Journal Issue: 24; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; fluorescence spectra; laser induced fluorescence; emission spectra; excited states; spectrum analysis

Citation Formats

Damian L. Kokkin, Sears, Trevor J., Ma, Tongmei, and Steimle, Timothy. Detection and characterization of singly deuterated silylene, SiHD, via optical spectroscopy. United States: N. p., 2016. Web. doi:10.1063/1.4954702.
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Damian L. Kokkin, Sears, Trevor J., Ma, Tongmei, & Steimle, Timothy. Detection and characterization of singly deuterated silylene, SiHD, via optical spectroscopy. United States. https://doi.org/10.1063/1.4954702
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Damian L. Kokkin, Sears, Trevor J., Ma, Tongmei, and Steimle, Timothy. Mon . "Detection and characterization of singly deuterated silylene, SiHD, via optical spectroscopy". United States. https://doi.org/10.1063/1.4954702. https://www.osti.gov/servlets/purl/1263914.
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@article{osti_1263914,
title = {Detection and characterization of singly deuterated silylene, SiHD, via optical spectroscopy},
author = {Damian L. Kokkin and Sears, Trevor J. and Ma, Tongmei and Steimle, Timothy},
abstractNote = {Singly deuterated silylene has been detected and characterized in the gas-phase using high-resolution, two-dimensional, optical spectroscopy. Rotationally resolved lines in the 000X˜1A'→A˜1A" 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 X˜1A'(0,0,0) and A˜1A"(0,0,0) state respectively. The dispersed fluorescence consists of a long progression in the A˜1A"(0,0,0)→X˜1A'(0,ν2,0) emission which was analyzed to produce vibrational parameters. Furthermore, a strong quantum level dependence of the rotationally resolved radiative decay curves is analyzed.},
doi = {10.1063/1.4954702},
journal = {Journal of Chemical Physics},
number = 24,
volume = 144,
place = {United States},
year = {Mon Jun 27 00:00:00 EDT 2016},
month = {Mon Jun 27 00:00:00 EDT 2016}
}
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https://doi.org/10.1063/1.4954702
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