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Title: Communication: Helium nanodroplet isolation and rovibrational spectroscopy of hydroxymethylene

Here, hydroxymethylene (HCOH) and its d 1-isotopologue (HCOD) are isolated in low temperature helium nanodroplets following pyrolysis of glyoxylic acid. Transitions identified in the infrared spectrum are assigned exclusively to the trans-conformation based on previously reported anharmonic frequency computations. For the OH(D) and CH stretches, a-and b-type transitions are observed, and when taken in conjunction with CCSD(T)/cc-pVTZ computations, lower limits to the vibrational band origins are determined. The relative intensities of the a-and b-type transitions provide the orientation of the transition dipole moment in the inertial frame. The He nanodroplet data are in excellent agreement with anharmonic frequency computations reported here and elsewhere, confirming an appreciable Ar-matrix shift of the OH and OD stretches and strong anharmonic resonance interactions in the high-frequency stretch regions of the mid-infrared.
Authors:
 [1] ;  [1] ;  [2] ; ORCiD logo [1]
  1. Univ. of Georgia, Athens, GA (United States)
  2. Univ. of Texas at Austin, Austin, TX (United States)
Publication Date:
Grant/Contract Number:
SC0008086
Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 140; Journal Issue: 17; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Research Org:
Univ. of Georgia Research Foundation, Athens, GA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
OSTI Identifier:
1409051

Leavitt, Christopher M., Moradi, Christopher P., Stanton, John F., and Douberly, Gary E.. Communication: Helium nanodroplet isolation and rovibrational spectroscopy of hydroxymethylene. United States: N. p., Web. doi:10.1063/1.4874850.
Leavitt, Christopher M., Moradi, Christopher P., Stanton, John F., & Douberly, Gary E.. Communication: Helium nanodroplet isolation and rovibrational spectroscopy of hydroxymethylene. United States. doi:10.1063/1.4874850.
Leavitt, Christopher M., Moradi, Christopher P., Stanton, John F., and Douberly, Gary E.. 2014. "Communication: Helium nanodroplet isolation and rovibrational spectroscopy of hydroxymethylene". United States. doi:10.1063/1.4874850. https://www.osti.gov/servlets/purl/1409051.
@article{osti_1409051,
title = {Communication: Helium nanodroplet isolation and rovibrational spectroscopy of hydroxymethylene},
author = {Leavitt, Christopher M. and Moradi, Christopher P. and Stanton, John F. and Douberly, Gary E.},
abstractNote = {Here, hydroxymethylene (HCOH) and its d1-isotopologue (HCOD) are isolated in low temperature helium nanodroplets following pyrolysis of glyoxylic acid. Transitions identified in the infrared spectrum are assigned exclusively to the trans-conformation based on previously reported anharmonic frequency computations. For the OH(D) and CH stretches, a-and b-type transitions are observed, and when taken in conjunction with CCSD(T)/cc-pVTZ computations, lower limits to the vibrational band origins are determined. The relative intensities of the a-and b-type transitions provide the orientation of the transition dipole moment in the inertial frame. The He nanodroplet data are in excellent agreement with anharmonic frequency computations reported here and elsewhere, confirming an appreciable Ar-matrix shift of the OH and OD stretches and strong anharmonic resonance interactions in the high-frequency stretch regions of the mid-infrared.},
doi = {10.1063/1.4874850},
journal = {Journal of Chemical Physics},
number = 17,
volume = 140,
place = {United States},
year = {2014},
month = {5}
}