Pressure broadening calculations for OH in collisions with argon: Rotational, vibrational, and electronic transitions

Dagdigian, Paul J.

doi:10.1016/j.jqsrt.2016.11.013

Title: Pressure broadening calculations for OH in collisions with argon: Rotational, vibrational, and electronic transitions

Authors:: Dagdigian, Paul J.

Publication Date:: Wed Mar 01 00:00:00 EST 2017

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1413050

Grant/Contract Number:: DESC0002323

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Quantitative Spectroscopy and Radiative Transfer

Additional Journal Information:: Journal Name: Journal of Quantitative Spectroscopy and Radiative Transfer Journal Volume: 189 Journal Issue: C; Journal ID: ISSN 0022-4073

Publisher:: Elsevier

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Dagdigian, Paul J. Pressure broadening calculations for OH in collisions with argon: Rotational, vibrational, and electronic transitions.  United Kingdom: N. p., 2017. 
Web.  doi:10.1016/j.jqsrt.2016.11.013.

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                    Dagdigian, Paul J. Pressure broadening calculations for OH in collisions with argon: Rotational, vibrational, and electronic transitions.  United Kingdom.  https://doi.org/10.1016/j.jqsrt.2016.11.013

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                    Dagdigian, Paul J. Wed .  
"Pressure broadening calculations for OH in collisions with argon: Rotational, vibrational, and electronic transitions".  United Kingdom.  https://doi.org/10.1016/j.jqsrt.2016.11.013.

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@article{osti_1413050,

  title        = {Pressure broadening calculations for OH in collisions with argon: Rotational, vibrational, and electronic transitions},

  author       = {Dagdigian, Paul J.},

  abstractNote = {},

  doi          = {10.1016/j.jqsrt.2016.11.013},

  journal      = {Journal of Quantitative Spectroscopy and Radiative Transfer},

  number       = C,

  volume       = 189,

  place        = {United Kingdom},

  year         = {Wed Mar 01 00:00:00 EST 2017},

  month        = {Wed Mar 01 00:00:00 EST 2017}

}

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Works referenced in this record:

A new potential energy surface for OH(A Σ2+)–Ar: The van der Waals complex and scattering dynamics
journal, August 2008

Kłos, J.; Alexander, M. H.; Brouard, M.
The Journal of Chemical Physics, Vol. 129, Issue 5
DOI: 10.1063/1.2957745

Quantum scattering theory of rotational relaxation and spectral line shapes in H2–He gas mixtures
journal, June 1973

Shafer, Richard; Gordon, Roy G.
The Journal of Chemical Physics, Vol. 58, Issue 12
DOI: 10.1063/1.1679162

Evaluation of the contribution of elastic dephasing processes in linewidths
journal, December 2000

Strekalov, M. L.
Chemical Physics Letters, Vol. 332, Issue 5-6
DOI: 10.1016/S0009-2614(00)01310-5

Impact Broadening of Microwave Spectra
journal, May 1966

Ben-Reuven, A.
Physical Review, Vol. 145, Issue 1
DOI: 10.1103/PhysRev.145.7

Collisional line shifting and broadening in the fundamental P-branch of CO in Ar between 214 and 324K
journal, January 2006

Wehr, R.; Vitcu, A.; Thibault, F.
Journal of Molecular Spectroscopy, Vol. 235, Issue 1
DOI: 10.1016/j.jms.2005.10.004

Pressure Broadening and Temperature Dependence of Microwave and Far Infrared Rotational Lines in OH Perturbed by N2, O2, and Ar
journal, November 2001

Benec'h, S.; Buldyreva, J.; Chrysos, M.
Journal of Molecular Spectroscopy, Vol. 210, Issue 1
DOI: 10.1006/jmsp.2001.8457

Measurement of collision‐induced shift and broadening of the ultraviolet transitions of OH
journal, April 1985

Shirinzadeh, B.; Bakalyar, D. M.; Wang, Charles C.
The Journal of Chemical Physics, Vol. 82, Issue 7
DOI: 10.1063/1.448234

Dicke-narrowed spectral line shapes of CO in Ar: Experimental results and a revised interpretation
journal, January 2006

Wehr, R.; Ciuryło, R.; Vitcu, A.
Journal of Molecular Spectroscopy, Vol. 235, Issue 1
DOI: 10.1016/j.jms.2005.10.009

Resonances in rotationally inelastic scattering of OH( X ² Π) with helium and neon
journal, April 2012

Gubbels, Koos B.; Ma, Qianli; Alexander, Millard H.
The Journal of Chemical Physics, Vol. 136, Issue 14
DOI: 10.1063/1.3697816

Pressure broadening and collisional narrowing in OH( v =1←0) rovibrational transitions with Ar, He, O ₂ , and N ₂
journal, February 1994

Schiffman, A.; Nesbitt, David J.
The Journal of Chemical Physics, Vol. 100, Issue 4
DOI: 10.1063/1.466462

Pressure broadening of the 83.869 cm−1 rotational lines of OH by N2, O2, H2, and He
journal, March 1996

Park, K.; Zink, L. R.; Evenson, K. M.
Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 55, Issue 3
DOI: 10.1016/0022-4073(95)00172-7

Quantum treatment of rotationally inelastic collisions involving molecules in II electronic states: New derivation of the coupling potential
journal, January 1985

Alexander, Millard H.
Chemical Physics, Vol. 92, Issue 2-3
DOI: 10.1016/0301-0104(85)85029-1

Measurements of argon collision broadening in the CN B2Σ+ ← X2Σ+(0,0) spectrum
journal, May 1995

Wooldridge, Steven T.; Hanson, Ronald K.; Bowman, Craig T.
Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 53, Issue 5
DOI: 10.1016/0022-4073(95)90048-9

General Impact Theory of Pressure Broadening
journal, November 1958

Baranger, Michel
Physical Review, Vol. 112, Issue 3
DOI: 10.1103/PhysRev.112.855

Pressure broadening of the 118.455 cm−1 rotational lines of OH by H2, He, N2, and O2
journal, April 1991

Chance, K. V.; Jennings, D. A.; Evenson, K. M.
Journal of Molecular Spectroscopy, Vol. 146, Issue 2
DOI: 10.1016/0022-2852(91)90012-Y

Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment
journal, May 2015

Schewe, H. Christian; Vanhaecke, Nicolas; Kłos, Jacek
The Journal of Chemical Physics, Vol. 142, Issue 20
DOI: 10.1063/1.4921562

Predictions for collisional broadening of far-infrared OH rotational lines of atmospheric interest
journal, January 1987

Buffa, Giovanni; Tarrini, Ottavio; Inguscio, Massimo
Applied Optics, Vol. 26, Issue 15
DOI: 10.1364/AO.26.003066

Argon-Induced Pressure Broadening, Shifting, and Narrowing in the CN A ² Π–X ² Σ ⁺ (1–0) Band
journal, May 2013

Forthomme, Damien; McRaven, Christopher P.; Sears, Trevor J.
The Journal of Physical Chemistry A, Vol. 117, Issue 46
DOI: 10.1021/jp4030359

Shock-tube study of pressure broadening of the A2∑+ - X2Π (0,0) band of OH by Ar and N2
journal, February 1987

Rea, E. C.; Chang, A. Y.; Hanson, R. K.
Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 37, Issue 2
DOI: 10.1016/0022-4073(87)90015-X

The Hitran Molecular Spectroscopic Database and Hawks (Hitran Atmospheric Workstation): 1996 Edition
journal, November 1998

Rothman, L. S.; Rinsland, C. P.; Goldman, A.
Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 60, Issue 5
DOI: 10.1016/S0022-4073(98)00078-8

State-to-state inelastic scattering of Stark-decelerated OH radicals with Ar atoms
journal, January 2010

Scharfenberg, Ludwig; Kłos, Jacek; Dagdigian, Paul J.
Physical Chemistry Chemical Physics, Vol. 12, Issue 36
DOI: 10.1039/c004422a

Pressure effects on water vapour lines: beyond the Voigt profile
journal, June 2012

Ngo, N. H.; Tran, H.; Gamache, R. R.
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 370, Issue 1968
DOI: 10.1098/rsta.2011.0272

The HITRAN2012 molecular spectroscopic database
journal, November 2013

Rothman, L. S.; Gordon, I. E.; Babikov, Y.
Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 130, p. 4-50
DOI: 10.1016/j.jqsrt.2013.07.002

HITRANonline: An online interface and the flexible representation of spectroscopic data in the HITRAN database
journal, July 2016

Hill, Christian; Gordon, Iouli E.; Kochanov, Roman V.
Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 177
DOI: 10.1016/j.jqsrt.2015.12.012

Orientation and alignment depolarization in OH(X Π2)+Ar/He collisions
journal, August 2008

Paterson, Grant; Marinakis, Sarantos; Costen, Matthew L.
The Journal of Chemical Physics, Vol. 129, Issue 7
DOI: 10.1063/1.2967861

Pressure broadening of the lowest rotational transition of OH studied by laser magnetic resonance
journal, August 1979

Burrows, J. P.; Cliff, D. I.; Davies, P. B.
Chemical Physics Letters, Vol. 65, Issue 2
DOI: 10.1016/0009-2614(79)87049-9

Pressure broadening parameters of the hydroxyl radical A 2 ?+ (??=0) ? X 2 ?3/2 (?=0) transitions at ca. 308 nm
journal, February 2005

Kasyutich, V. L.
The European Physical Journal D, Vol. 33, Issue 1
DOI: 10.1140/epjd/e2005-00022-0

Rotational level-dependent collisional broadening and line shift of the A2σ+−X2∏ (1, 0) band of OH in hydrogen-air combustion gases
journal, February 1993

Kessler, W. J.; Allen, M. G.; Davis, S. J.
Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 49, Issue 2
DOI: 10.1016/0022-4073(93)90051-I

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Similar Records

Title: Pressure broadening calculations for OH in collisions with argon: Rotational, vibrational, and electronic transitions

Citation Formats

A new potential energy surface for OH(A Σ2+)–Ar: The van der Waals complex and scattering dynamics journal, August 2008

Quantum scattering theory of rotational relaxation and spectral line shapes in H2–He gas mixtures journal, June 1973

Evaluation of the contribution of elastic dephasing processes in linewidths journal, December 2000

Impact Broadening of Microwave Spectra journal, May 1966

Collisional line shifting and broadening in the fundamental P-branch of CO in Ar between 214 and 324K journal, January 2006

Pressure Broadening and Temperature Dependence of Microwave and Far Infrared Rotational Lines in OH Perturbed by N2, O2, and Ar journal, November 2001

Measurement of collision‐induced shift and broadening of the ultraviolet transitions of OH journal, April 1985

Dicke-narrowed spectral line shapes of CO in Ar: Experimental results and a revised interpretation journal, January 2006

Resonances in rotationally inelastic scattering of OH( X 2 Π) with helium and neon journal, April 2012

Pressure broadening and collisional narrowing in OH( v =1←0) rovibrational transitions with Ar, He, O 2 , and N 2 journal, February 1994

Pressure broadening of the 83.869 cm−1 rotational lines of OH by N2, O2, H2, and He journal, March 1996

Quantum treatment of rotationally inelastic collisions involving molecules in II electronic states: New derivation of the coupling potential journal, January 1985

Measurements of argon collision broadening in the CN B2Σ+ ← X2Σ+(0,0) spectrum journal, May 1995

General Impact Theory of Pressure Broadening journal, November 1958

Pressure broadening of the 118.455 cm−1 rotational lines of OH by H2, He, N2, and O2 journal, April 1991

Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment journal, May 2015

Predictions for collisional broadening of far-infrared OH rotational lines of atmospheric interest journal, January 1987

Argon-Induced Pressure Broadening, Shifting, and Narrowing in the CN A 2 Π–X 2 Σ + (1–0) Band journal, May 2013

Shock-tube study of pressure broadening of the A2∑+ - X2Π (0,0) band of OH by Ar and N2 journal, February 1987

The Hitran Molecular Spectroscopic Database and Hawks (Hitran Atmospheric Workstation): 1996 Edition journal, November 1998

State-to-state inelastic scattering of Stark-decelerated OH radicals with Ar atoms journal, January 2010

Pressure effects on water vapour lines: beyond the Voigt profile journal, June 2012

The HITRAN2012 molecular spectroscopic database journal, November 2013

HITRANonline: An online interface and the flexible representation of spectroscopic data in the HITRAN database journal, July 2016

Orientation and alignment depolarization in OH(X Π2)+Ar/He collisions journal, August 2008

Pressure broadening of the lowest rotational transition of OH studied by laser magnetic resonance journal, August 1979

Pressure broadening parameters of the hydroxyl radical A 2 ?+ (??=0) ? X 2 ?3/2 (?=0) transitions at ca. 308 nm journal, February 2005

Rotational level-dependent collisional broadening and line shift of the A2σ+−X2∏ (1, 0) band of OH in hydrogen-air combustion gases journal, February 1993

A new potential energy surface for OH(A Σ2+)–Ar: The van der Waals complex and scattering dynamics
journal, August 2008

Quantum scattering theory of rotational relaxation and spectral line shapes in H2–He gas mixtures
journal, June 1973

Evaluation of the contribution of elastic dephasing processes in linewidths
journal, December 2000

Impact Broadening of Microwave Spectra
journal, May 1966

Collisional line shifting and broadening in the fundamental P-branch of CO in Ar between 214 and 324K
journal, January 2006

Pressure Broadening and Temperature Dependence of Microwave and Far Infrared Rotational Lines in OH Perturbed by N2, O2, and Ar
journal, November 2001

Measurement of collision‐induced shift and broadening of the ultraviolet transitions of OH
journal, April 1985

Dicke-narrowed spectral line shapes of CO in Ar: Experimental results and a revised interpretation
journal, January 2006

Resonances in rotationally inelastic scattering of OH( X ² Π) with helium and neon
journal, April 2012

Pressure broadening and collisional narrowing in OH( v =1←0) rovibrational transitions with Ar, He, O ₂ , and N ₂
journal, February 1994

Pressure broadening of the 83.869 cm−1 rotational lines of OH by N2, O2, H2, and He
journal, March 1996

Quantum treatment of rotationally inelastic collisions involving molecules in II electronic states: New derivation of the coupling potential
journal, January 1985

Measurements of argon collision broadening in the CN B2Σ+ ← X2Σ+(0,0) spectrum
journal, May 1995

General Impact Theory of Pressure Broadening
journal, November 1958

Pressure broadening of the 118.455 cm−1 rotational lines of OH by H2, He, N2, and O2
journal, April 1991

Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment
journal, May 2015

Predictions for collisional broadening of far-infrared OH rotational lines of atmospheric interest
journal, January 1987

Argon-Induced Pressure Broadening, Shifting, and Narrowing in the CN A ² Π–X ² Σ ⁺ (1–0) Band
journal, May 2013

Shock-tube study of pressure broadening of the A2∑+ - X2Π (0,0) band of OH by Ar and N2
journal, February 1987

The Hitran Molecular Spectroscopic Database and Hawks (Hitran Atmospheric Workstation): 1996 Edition
journal, November 1998

State-to-state inelastic scattering of Stark-decelerated OH radicals with Ar atoms
journal, January 2010

Pressure effects on water vapour lines: beyond the Voigt profile
journal, June 2012

The HITRAN2012 molecular spectroscopic database
journal, November 2013

HITRANonline: An online interface and the flexible representation of spectroscopic data in the HITRAN database
journal, July 2016

Orientation and alignment depolarization in OH(X Π2)+Ar/He collisions
journal, August 2008

Pressure broadening of the lowest rotational transition of OH studied by laser magnetic resonance
journal, August 1979

Pressure broadening parameters of the hydroxyl radical A 2 ?+ (??=0) ? X 2 ?3/2 (?=0) transitions at ca. 308 nm
journal, February 2005

Rotational level-dependent collisional broadening and line shift of the A2σ+−X2∏ (1, 0) band of OH in hydrogen-air combustion gases
journal, February 1993