Photodissociation transition states characterized by chirped pulse millimeter wave spectroscopy

Prozument, Kirill; Baraban, Joshua H.; Changala, P. Bryan; Park, G. Barratt; Shaver, Rachel G.; Muenter, John S.; Klippenstein, Stephen J.; Chernyak, Vladimir Y.; Field, Robert W.

doi:10.1073/pnas.1911326116

Title: Photodissociation transition states characterized by chirped pulse millimeter wave spectroscopy

Journal Article · 18 December 2019 · Proceedings of the National Academy of Sciences of the United States of America

DOI: https://doi.org/10.1073/pnas.1911326116 · OSTI ID:1579963

Prozument, Kirill ^[1];

^[2];

^[3]; Park, G. Barratt ^[4]; Shaver, Rachel G. ^[5]; Muenter, John S. ^[6];

^[7]; Chernyak, Vladimir Y. ^[8];

^[5]

Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Univ. of the Negev, Beer-Sheva (Israel)
Univ. of Colorado, Boulder, CO (United States)
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Max Planck Inst. for Biophysical Chemistry, Goettingen (Germany); Univ. of Goettingen (Germany)
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Univ. of Rochester, NY (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Wayne State Univ., Detroit, MI (United States)

The 193-nm photolysis of CH₂CHCN illustrates the capability of chirped-pulse Fourier transform millimeter-wave spectroscopy to characterize transition states. We investigate the HCN, HNC photofragments in highly excited vibrational states using both frequency and intensity information. Measured relative intensities of J = 1–0 rotational transition lines yield vibrational-level population distributions (VPD). These VPDs encode the properties of the parent molecule transition state at which the fragment molecule was born. A Poisson distribution formalism, based on the generalized Franck–Condon principle, is proposed as a framework for extracting information about the transition-state structure from the observed VPD. We employ the isotopologue CH₂CDCN to disentangle the unimolecular 3-center DCN elimination mechanism from other pathways to HCN. Our experimental results reveal a previously unknown transition state that we tentatively associate with the HCN eliminated via a secondary, bimolecular reaction.

View Journal Article

Cite

Export

Save

Research Organization:: Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; National Science Foundation (NSF); Petroleum Research Fund (PRF); UUSDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division; USDOE

Grant/Contract Number:: FG02-87ER13671; AC02-06CH11357

OSTI ID:: 1579963

Alternate ID(s):: OSTI ID: 1597425; OSTI ID: 1632870; OSTI ID: 1733361; OSTI ID: 1831793

Journal Information:: Proceedings of the National Academy of Sciences of the United States of America, Vol. 117, Issue 1; ISSN 0027-8424

Publisher:: National Academy of SciencesCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 10 works

Citation information provided by
Web of Science

References (99)

Structure and Vibrational Modes of the Cyanovinyl Radical: A Study by Time-Resolved Fourier Transform IR Emission Spectroscopy ^† Letendre, Laura; Dai, Hai-Lung The Journal of Physical Chemistry A, Vol. 106, Issue 50 https://doi.org/10.1021/jp013786b	journal	December 2002
Photoionization mass spectrometry of CH ₂ S and HCS Ruscic, B.; Berkowitz, J. The Journal of Chemical Physics, Vol. 98, Issue 4 https://doi.org/10.1063/1.464139	journal	February 1993
Spectroscopic Characterization of Isomerization Transition States Baraban, Joshua; Field, Robert; Merer, Anthony Proceedings of the 71st International Symposium on Molecular Spectroscopy https://doi.org/10.15278/isms.2016.mf07	conference	June 2016
A new approach toward transition state spectroscopy Prozument, Kirill; Shaver, Rachel Glyn; Ciuba, Monika A. Faraday Discussions, Vol. 163 https://doi.org/10.1039/c3fd20160k	journal	January 2013
Dipole moments of highly vibrationally excited HCN: Theoretical prediction of an experimental diagnostic for delocalized states Bowman, Joel M.; Irle, Stephan; Morokuma, Keiji The Journal of Chemical Physics, Vol. 114, Issue 18 https://doi.org/10.1063/1.1364681	journal	May 2001
Direct observation of the symmetric stretching modes of Ã ¹ A _u acetylene by pulsed supersonic jet laser induced fluorescence Steeves, Adam H.; Merer, Anthony J.; Bechtel, Hans A. Molecular Physics, Vol. 106, Issue 15 https://doi.org/10.1080/00268970802353327	journal	August 2008
A long path length pulsed slit valve appropriate for high temperature operation: Infrared spectroscopy of jet‐cooled large water clusters and nucleotide bases Liu, Kun; Fellers, Raymond S.; Viant, Mark R. Review of Scientific Instruments, Vol. 67, Issue 2 https://doi.org/10.1063/1.1146605	journal	February 1996
Isomer-specific detection in the UV photodissociation of the propargyl radical by chirped-pulse mm-wave spectroscopy in a pulsed quasi-uniform flow Broderick, Bernadette M.; Suas-David, Nicolas; Dias, Nureshan Physical Chemistry Chemical Physics, Vol. 20, Issue 8 https://doi.org/10.1039/C7CP06211G	journal	January 2018
Direct Observation of the Transition State Polanyi, John C.; Zewail, Ahmed H. Accounts of Chemical Research, Vol. 28, Issue 3 https://doi.org/10.1021/ar00051a005	journal	March 1995
The electronic spectrum of acrylonitrile Mullen, P. A.; Orloff, M. K. Theoretica Chimica Acta, Vol. 23, Issue 3 https://doi.org/10.1007/BF00530237	journal	January 1971
Fourier transform photoelectron spectroscopy: The correlation function and the harmonic oscillator approximation Ruščić, Branko The Journal of Chemical Physics, Vol. 85, Issue 7 https://doi.org/10.1063/1.450898	journal	October 1986
Molecular rotation in the presence of intramolecular vibrational energy redistribution Keske, John; Mcwhorter, David A.; Pate, Brooks H. International Reviews in Physical Chemistry, Vol. 19, Issue 3 https://doi.org/10.1080/01442350050034171	journal	July 2000
Vibrational relaxation of linear molecules in a nozzle expansion Deleon, Robert L.; Muenter, J. S. Chemical Physics Letters, Vol. 111, Issue 1-2 https://doi.org/10.1016/0009-2614(84)80453-4	journal	October 1984
Laboratory Measurements of the Hyperfine Structure of H ¹⁴ N ¹² C and D ¹⁴ N ¹² C Bechtel, Hans A.; Steeves, Adam H.; Field, Robert W. The Astrophysical Journal, Vol. 649, Issue 1 https://doi.org/10.1086/508272	journal	September 2006
Complete experimental rovibrational eigenenergies of HCN up to 6880 cm ⁻¹ above the ground state Mellau, Georg Ch. The Journal of Chemical Physics, Vol. 134, Issue 23 https://doi.org/10.1063/1.3598942	journal	June 2011
Isotopic reactive systems H+Cl ₂ and D+Cl ₂ . A quantum mechanical treatment of the collinear arrangement Baer, Michael The Journal of Chemical Physics, Vol. 60, Issue 3 https://doi.org/10.1063/1.1681113	journal	February 1974
Dynamical theory of vibrational state population distribution in electronic-to-vibrational energy transfer. Application to Hg*-sensitized IR fluorescence of diatomics Levine, R. D.; Bernstein, R. B. Chemical Physics Letters, Vol. 15, Issue 1 https://doi.org/10.1016/0009-2614(72)87001-5	journal	July 1972
The photochemistry of acrylonitrile vapour at 213.9 nm Gandini, A.; Hackett, P. A. Canadian Journal of Chemistry, Vol. 56, Issue 15 https://doi.org/10.1139/v78-342	journal	August 1978
The ultraviolet photodissociation dynamics of d ₁ ‐vinyl chloride Huang, Yibo; Yang, Yung‐an; He, Guo‐xin The Journal of Chemical Physics, Vol. 99, Issue 4 https://doi.org/10.1063/1.465183	journal	August 1993
Three-center versus four-center elimination in photolysis of vinyl fluoride and vinyl bromide at 193 nm: Bimodal rotational distribution of HF and HBr (v⩽5) detected with time-resolved Fourier transform spectroscopy Lin, Shiaw-Ruey; Lin, Shih-Che; Lee, Yu-Chang The Journal of Chemical Physics, Vol. 114, Issue 17 https://doi.org/10.1063/1.1343079	journal	May 2001
I. Three-center versus four-center HCl-elimination in photolysis of vinyl chloride at 193 nm: Bimodal rotational distribution of HCl (v≤7) detected with time-resolved Fourier-transform spectroscopy Lin, Shiaw-Ruey; Lin, Shih-Che; Lee, Yu-Chang The Journal of Chemical Physics, Vol. 114, Issue 1 https://doi.org/10.1063/1.1328736	journal	January 2001
Hydrogen Migration and Vinylidene Pathway for Formation of Methane in the 193 nm Photodissociation of Propene: CH ₃ CHCH ₂ and CD ₃ CDCD ₂ Zhao, Yi-Lei; Laufer, Allan H.; Halpern, Joshua B. The Journal of Physical Chemistry A, Vol. 111, Issue 34 https://doi.org/10.1021/jp072475j	journal	August 2007
A many‐body approach to the vibrational structure in molecular electronic spectra. I. Theory Cederbaum, L. S.; Domcke, W. The Journal of Chemical Physics, Vol. 64, Issue 2 https://doi.org/10.1063/1.432250	journal	January 1976
Measuring Picosecond Isomerization Kinetics via Broadband Microwave Spectroscopy Dian, B. C.; Brown, G. G.; Douglass, K. O. Science, Vol. 320, Issue 5878 https://doi.org/10.1126/science.1155736	journal	May 2008
The 1,1-elimination of hydrogen cyanide and formation of triplet vinylidene from the photolysis of acrylonitrile Fahr, Askar; Laufer, Allan H. The Journal of Physical Chemistry, Vol. 96, Issue 11 https://doi.org/10.1021/j100190a022	journal	May 1992
Radiative Relaxation and Isomeric Branching of Highly Excited H/C/N: The Importance of Delocalized Vibrational States Barger, Troy; Wodtke, Alec M.; Bowman, Joel M. The Astrophysical Journal, Vol. 587, Issue 2 https://doi.org/10.1086/368254	journal	April 2003
Collisional quenching of OD AΣ2+ by H2: Experimental and theoretical studies of the state-resolved OD XΠ2 product distribution and branching fraction Lehman, Julia H.; Dempsey, Logan P.; Lester, Marsha I. The Journal of Chemical Physics, Vol. 133, Issue 16 https://doi.org/10.1063/1.3487734	journal	October 2010
Nucleation and growth of clusters in expanding nozzle flows Hagena, OttoF. Surface Science Letters, Vol. 106, Issue 1-3 https://doi.org/10.1016/0167-2584(81)90312-1	journal	May 1981
Bent out of shape Barnes, George L.; Hase, William L. Nature Chemistry, Vol. 1, Issue 2 https://doi.org/10.1038/nchem.193	journal	May 2009
193 nm photolysis of vinyl bromide: Nascent product distribution of the C2H3Br→C2H2 (vinylidene)+HBr channel Liu, Dean-Kuo; Letendre, Laura T.; Dai, Hai-Lung The Journal of Chemical Physics, Vol. 115, Issue 4 https://doi.org/10.1063/1.1382812	journal	July 2001
Golden rule calculation of reaction product vibronic state distributions Berry, Michael J. Chemical Physics Letters, Vol. 27, Issue 1 https://doi.org/10.1016/0009-2614(74)80447-1	journal	July 1974
Intramolecular dynamics by photoelectron spectroscopy. II. Nonadiabatic processes Dehareng, D.; Leyh, B.; Desouter‐Lecomte, M. The Journal of Chemical Physics, Vol. 79, Issue 8 https://doi.org/10.1063/1.446292	journal	October 1983
Dynamics of linear and T-shaped Ar–I2 dissociation upon B←X optical excitation: A dispersed fluorescence study of the linear isomer Stevens Miller, Amy E.; Chuang, Cheng-Chi; Fu, Henry C. The Journal of Chemical Physics, Vol. 111, Issue 17 https://doi.org/10.1063/1.480120	journal	November 1999
High-resolution IR cavity ring-down spectroscopy of jet-cooled free radicals and other species Wu, Shenghai; Dupré, Patrick; Miller, Terry A. Physical Chemistry Chemical Physics, Vol. 8, Issue 14 https://doi.org/10.1039/b518279d	journal	January 2006
Vibrationally Mediated Photodissociation: Exploring Excited-State Surfaces and Controlling Decomposition Pathways Crim, F. F. Annual Review of Physical Chemistry, Vol. 44, Issue 1 https://doi.org/10.1146/annurev.pc.44.100193.002145	journal	October 1993
Active Thermochemical Tables: thermochemistry for the 21st century Ruscic, Branko; Pinzon, Reinhardt E.; Laszewski, Gregor von Journal of Physics: Conference Series, Vol. 16 https://doi.org/10.1088/1742-6596/16/1/078	journal	January 2005
Spectroscopic characterization of isomerization transition states Baraban, J. H.; Changala, P. B.; Mellau, G. C. Science, Vol. 350, Issue 6266 https://doi.org/10.1126/science.aac9668	journal	December 2015
Conformational isomerization kinetics of pent-1-en-4-yne with 3,330 cm-1 of internal energy measured by dynamic rotational spectroscopy Dian, B. C.; Brown, G. G.; Douglass, K. O. Proceedings of the National Academy of Sciences, Vol. 105, Issue 35 https://doi.org/10.1073/pnas.0800520105	journal	August 2008
On the HCN – HNC Energy Difference Nguyen, Thanh L.; Baraban, Joshua H.; Ruscic, Branko The Journal of Physical Chemistry A, Vol. 119, Issue 44 https://doi.org/10.1021/acs.jpca.5b08406	journal	October 2015
Nuclear quadrupole hyperfine structure in HC14N/H14NC and DC15N/D15NC isomerization: a diagnostic tool for characterizing vibrational localization Wong, Bryan M. Physical Chemistry Chemical Physics, Vol. 10, Issue 36 https://doi.org/10.1039/b807672c	journal	January 2008
Vibrationally Mediated Photodissociation: Exploring Excited-State Surfaces and Controlling Decomposition Pathways Crim, F. Annual Review of Physical Chemistry, Vol. 44, Issue 1 https://doi.org/10.1146/annurev.physchem.44.1.397	journal	January 1993
Photodissociation of ethylene at 193 nm Balko, B. A.; Zhang, J.; Lee, Y. T. The Journal of Chemical Physics, Vol. 97, Issue 2 https://doi.org/10.1063/1.463196	journal	July 1992
The photodissociation cage effect in van der Waals complexes: Fluorescence spectra of I ₂ B ( ³ Π _{0+ u} ) from the hindered photodissociation of I ₂ Ar at 488 nm Valentini, James J.; Cross, Jon B. The Journal of Chemical Physics, Vol. 77, Issue 1 https://doi.org/10.1063/1.443595	journal	July 1982
Vector and scalar correlations in statistical dissociation: The photodissociation of NCCN at 193 nm North, Simon W.; Hall, Gregory E. The Journal of Chemical Physics, Vol. 106, Issue 1 https://doi.org/10.1063/1.473023	journal	January 1997
The roaming atom pathway in formaldehyde decomposition Lahankar, Sridhar A.; Chambreau, Steven D.; Townsend, Dave The Journal of Chemical Physics, Vol. 125, Issue 4 https://doi.org/10.1063/1.2202241	journal	July 2006
Theoretical Studies of the Thermal Gas-Phase Decomposition of Vinyl Bromide on the Ground-State Potential-Energy Surface Abrash, Samuel A.; Zehner, Robert W.; Mains, Gilbert J. The Journal of Physical Chemistry, Vol. 99, Issue 10 https://doi.org/10.1021/j100010a005	journal	March 1995
Bent Out of Shape Balter, M. Science, Vol. 291, Issue 5512 https://doi.org/10.1126/science.291.5512.2343	journal	March 2001
Edge effects in chirped-pulse Fourier transform microwave spectra Park, G. Barratt; Field, Robert W. Journal of Molecular Spectroscopy, Vol. 312 https://doi.org/10.1016/j.jms.2015.03.010	journal	June 2015
Photodissociation of acetylene: Determination of D ⁰ ₀ (HCC–H) by photofragment imaging Baldwin, David P.; Buntine, Mark A.; Chandler, David W. The Journal of Chemical Physics, Vol. 93, Issue 9 https://doi.org/10.1063/1.458973	journal	November 1990
Bent Out of Shape: A Case of Abdominal Pain Chaganti, Praneetha; Chao, Jennifer H. Pediatric Emergency Care, Vol. Publish Ahead of Print https://doi.org/10.1097/pec.0000000000001573	journal	January 2018
Broadband Rotational Spectroscopy for Molecular Structure and Dynamics Studies Schnell, Melanie Zeitschrift für Physikalische Chemie, Vol. 227, Issue 1 https://doi.org/10.1524/zpch.2012.0213	journal	January 2013
The unimolecular dissociation of vinylcyanide: A theoretical investigation of a complex multichannel reaction Derecskei-Kovacs, Agnes; North, Simon W. The Journal of Chemical Physics, Vol. 110, Issue 6 https://doi.org/10.1063/1.477929	journal	February 1999
Large-amplitude dynamics in vinyl radical: The role of quantum tunneling as an isomerization mechanism Sharma, Amit R.; Bowman, Joel M.; Nesbitt, David J. The Journal of Chemical Physics, Vol. 136, Issue 3 https://doi.org/10.1063/1.3666987	journal	January 2012
Reactive scattering of F+HD→HF(v,J)+D: HF(v,J) nascent product state distributions and evidence for quantum transition state resonances Harper, Warren W.; Nizkorodov, Sergey A.; Nesbitt, David J. The Journal of Chemical Physics, Vol. 116, Issue 13 https://doi.org/10.1063/1.1456507	journal	April 2002
Chirped-pulse millimeter-wave spectroscopy for dynamics and kinetics studies of pyrolysis reactions Prozument, Kirill; Barratt Park, G.; Shaver, Rachel G. Phys. Chem. Chem. Phys., Vol. 16, Issue 30 https://doi.org/10.1039/C3CP55352C	journal	January 2014
Introduction to Active Thermochemical Tables: Several “Key” Enthalpies of Formation Revisited ^† Ruscic, Branko; Pinzon, Reinhardt E.; Morton, Melita L. The Journal of Physical Chemistry A, Vol. 108, Issue 45 https://doi.org/10.1021/jp047912y	journal	November 2004
Heat of formation of hydrogen isocyanide by ion cyclotron double resonance spectroscopy Pau, Chin Fong; Hehre, Warren J. The Journal of Physical Chemistry, Vol. 86, Issue 3 https://doi.org/10.1021/j100392a006	journal	February 1982
The state-to-state-to-state model for direct chemical reactions: Application to D+H2→HD+H Gustafsson, Magnus; Skodje, Rex T. The Journal of Chemical Physics, Vol. 124, Issue 14 https://doi.org/10.1063/1.2187976	journal	April 2006
Design and evaluation of a pulsed-jet chirped-pulse millimeter-wave spectrometer for the 70–102 GHz region Park, G. Barratt; Steeves, Adam H.; Kuyanov-Prozument, Kirill The Journal of Chemical Physics, Vol. 135, Issue 2 https://doi.org/10.1063/1.3597774	journal	July 2011
Transition-State Spectroscopy of Cyclooctatetraene Wenthold, P. G.; Hrovat, D. A.; Borden, W. T. Science, Vol. 272, Issue 5267 https://doi.org/10.1126/science.272.5267.1456	journal	June 1996
The photodissociation mechanisms of acrylonitrile: Ab initio calculations on reaction channels and surface intersections Du, Wei-Na; Luo, Cheng; Li, Ze-Sheng The Journal of Chemical Physics, Vol. 129, Issue 17 https://doi.org/10.1063/1.2994733	journal	November 2008
Transition States and Rate Constants for Unimolecular Reactions Green, W. H.; Moore, C. B.; Polik, W. F. Annual Review of Physical Chemistry, Vol. 43, Issue 1 https://doi.org/10.1146/annurev.pc.43.100192.003111	journal	October 1992
Microwave Spectroscopy in Chemistry Wilson, E. B. Science, Vol. 162, Issue 3849 https://doi.org/10.1126/science.162.3849.59	journal	October 1968
Photodissociation of acrylonitrile at 193 nm: A photofragment translational spectroscopy study using synchrotron radiation for product photoionization Blank, David A.; Suits, Arthur G.; Lee, Yuan T. The Journal of Chemical Physics, Vol. 108, Issue 14 https://doi.org/10.1063/1.475989	journal	April 1998
Photodissociation of vinyl cyanide at 193 nm: Nascent product distributions of the molecular elimination channels Wilhelm, Michael J.; Nikow, Matthew; Letendre, Laura The Journal of Chemical Physics, Vol. 130, Issue 4 https://doi.org/10.1063/1.3065986	journal	January 2009
Intensity factors for the I2 B↔X band system Tellinghuisen, Joel Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 19, Issue 2 https://doi.org/10.1016/0022-4073(78)90074-2	journal	February 1978
Overtone-induced dissociation and isomerization dynamics of the hydroxymethyl radical (CH ₂ OH and CD ₂ OH). II. Velocity map imaging studies Ryazanov, M.; Rodrigo, C.; Reisler, H. The Journal of Chemical Physics, Vol. 136, Issue 8 https://doi.org/10.1063/1.3685899	journal	February 2012
PGOPHER: A program for simulating rotational, vibrational and electronic spectra Western, Colin M. Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 186 https://doi.org/10.1016/j.jqsrt.2016.04.010	journal	January 2017
Picturing the Transition-State Region and Understanding Vibrational Enhancement for the Cl + CH ₄ → HCl + CH ₃ Reaction Simpson, William R.; Rakitzis, T. Peter; Kandel, S. Alex The Journal of Physical Chemistry, Vol. 100, Issue 19 https://doi.org/10.1021/jp952627n	journal	January 1996
Electronic-to-vibrational energy transfer in a collision of CO with Hg(3PO) Fushiki, Yasuo; Tsuchiya, Soji Chemical Physics Letters, Vol. 22, Issue 1 https://doi.org/10.1016/0009-2614(73)80531-7	journal	September 1973
Does Infrared Multiphoton Dissociation of Vinyl Chloride Yield Cold Vinylidene? Fernando, Ravin; Qu, Chen; Bowman, Joel M. The Journal of Physical Chemistry Letters, Vol. 6, Issue 13 https://doi.org/10.1021/acs.jpclett.5b01031	journal	June 2015
Nucleation and growth of clusters in expanding nozzle flows Hagena, Otto F. Surface Science, Vol. 106, Issue 1-3 https://doi.org/10.1016/0039-6028(81)90187-4	journal	May 1981
Broadband Molecular Rotational Spectroscopy Special Issue Pate, Brooks H.; De Lucia, Frank C. Journal of Molecular Spectroscopy, Vol. 280 https://doi.org/10.1016/j.jms.2012.08.003	journal	October 2012
Time-Resolved Kinetic Chirped-Pulse Rotational Spectroscopy in a Room-Temperature Flow Reactor Zaleski, Daniel P.; Harding, Lawrence B.; Klippenstein, Stephen J. The Journal of Physical Chemistry Letters, Vol. 8, Issue 24 https://doi.org/10.1021/acs.jpclett.7b02864	journal	December 2017
ExoMol line lists – III. An improved hot rotation-vibration line list for HCN and HNC Barber, R. J.; Strange, J. K.; Hill, C. Monthly Notices of the Royal Astronomical Society, Vol. 437, Issue 2 https://doi.org/10.1093/mnras/stt2011	journal	November 2013
Effective Hamiltonian Models and Unimolecular Decomposition ^† Wittig, Curt; Bezel, Ilya The Journal of Physical Chemistry B, Vol. 110, Issue 40 https://doi.org/10.1021/jp061859r	journal	October 2006
Near threshold photodissociation of acetylene Mordaunt, David H.; Ashfold, Michael N. R.; Dixon, Richard N. The Journal of Chemical Physics, Vol. 108, Issue 2 https://doi.org/10.1063/1.475415	journal	January 1998
Photofragmentation of mono‐ and dichloroethylenes: Translational energy measurements of recoiling Cl and HCl fragments Umemoto, Masayuki; Seki, Kanekazu; Shinohara, Hisanori The Journal of Chemical Physics, Vol. 83, Issue 4 https://doi.org/10.1063/1.449403	journal	August 1985
Formaldehyde photochemistry: Appearance rate, vibrational relaxation, and energy distribution of the CO product Houston, Paul L.; Moore, C. Bradley The Journal of Chemical Physics, Vol. 65, Issue 2 https://doi.org/10.1063/1.433092	journal	July 1976
Franck–Condon factors in studies of dynamics of chemical reactions. II. Vibration–rotation distributions in atom–diatom reactions Schatz, George C.; Ross, John The Journal of Chemical Physics, Vol. 66, Issue 3 https://doi.org/10.1063/1.434060	journal	February 1977
Rotational distributions of HBr in the photodissociation of vinyl bromide at 193nm: An investigation by direct quasiclassical trajectory calculations Martínez-Núñez, Emilio; Vázquez, Saulo Chemical Physics Letters, Vol. 425, Issue 1-3 https://doi.org/10.1016/j.cplett.2006.05.005	journal	July 2006
Evolution of Chemical Bonding during HCN⇄HNC Isomerization as Revealed through Nuclear Quadrupole Hyperfine Structure Bechtel, Hans A.; Steeves, Adam H.; Wong, Bryan M. Angewandte Chemie International Edition, Vol. 47, Issue 16 https://doi.org/10.1002/anie.200705399	journal	April 2008
Quantum theory of angular momentum coupling in reactive collisions Schulten, Klaus; Gordon, Roy G. The Journal of Chemical Physics, Vol. 64, Issue 7 https://doi.org/10.1063/1.432553	journal	April 1976
Observation of Transition-State Vibrational Thresholds in the Rate of Dissociation of Ketene Lovejoy, E. R.; Kim, S. K.; Moore, C. B. Science, Vol. 256, Issue 5063 https://doi.org/10.1126/science.256.5063.1541	journal	June 1992
Product vibrational state distributions in the photodissociation of iodine - rare gas clusters Philippoz, J. M.; Van den Bergh, H.; Monot, R. The Journal of Physical Chemistry, Vol. 91, Issue 10 https://doi.org/10.1021/j100294a020	journal	May 1987
Franck–Condon factors in studies of dynamics of chemical reactions. I. General theory, application to collinear atom–diatom reactions Schatz, George C.; Ross, John The Journal of Chemical Physics, Vol. 66, Issue 3 https://doi.org/10.1063/1.434059	journal	February 1977
State to State to State Dynamics of the D + H 2 → H D + H Reaction: Control of Transition-State Pathways via Reagent Orientation Zhang, Jianyang; Dai, Dongxu; Wang, Chia C. Physical Review Letters, Vol. 96, Issue 9 https://doi.org/10.1103/PhysRevLett.96.093201	journal	March 2006
Perspective: The first ten years of broadband chirped pulse Fourier transform microwave spectroscopy Park, G. Barratt; Field, Robert W. The Journal of Chemical Physics, Vol. 144, Issue 20 https://doi.org/10.1063/1.4952762	journal	May 2016
Broadband rotational spectroscopy of acrylonitrile: Vibrational energies from perturbations Kisiel, Zbigniew; Pszczółkowski, Lech; Drouin, Brian J. Journal of Molecular Spectroscopy, Vol. 280 https://doi.org/10.1016/j.jms.2012.06.013	journal	October 2012
The ozonolysis of isoprene in a cryogenic buffer gas cell by high resolution microwave spectroscopy Porterfield, Jessica P.; Eibenberger, Sandra; Patterson, David Physical Chemistry Chemical Physics, Vol. 20, Issue 24 https://doi.org/10.1039/C8CP02055H	journal	January 2018
Ultraviolet photodissociation of vinyl iodide: understanding the halogen dependence of photodissociation mechanisms in vinyl halides Zou, Peng; Strecker, Kevin E.; Ramirez-Serrano, Jaime Phys. Chem. Chem. Phys., Vol. 10, Issue 5 https://doi.org/10.1039/B712117B	journal	January 2008
Complex time dependent wave packet technique for thermal equilibrium systems: Electronic spectra Reimers, Jeffrey R.; Wilson, Kent R.; Heller, Eric J. The Journal of Chemical Physics, Vol. 79, Issue 10 https://doi.org/10.1063/1.445618	journal	November 1983
The rotational spectrum of epifluorohydrin measured by chirped-pulse Fourier transform microwave spectroscopy Brown, Gordon G.; Dian, Brian C.; Douglass, Kevin O. Journal of Molecular Spectroscopy, Vol. 238, Issue 2 https://doi.org/10.1016/j.jms.2006.05.003	journal	August 2006
A broadband Fourier transform microwave spectrometer based on chirped pulse excitation Brown, Gordon G.; Dian, Brian C.; Douglass, Kevin O. Review of Scientific Instruments, Vol. 79, Issue 5 https://doi.org/10.1063/1.2919120	journal	May 2008
Ab Initio and RRKM Study of the HCN/HNC Elimination Channels from Vinyl Cyanide Homayoon, Zahra; Vázquez, Saulo A.; Rodríguez-Fernández, Roberto The Journal of Physical Chemistry A, Vol. 115, Issue 6 https://doi.org/10.1021/jp109843a	journal	February 2011
Chirped-pulse terahertz spectroscopy for broadband trace gas sensing Gerecht, Eyal; Douglass, Kevin O.; Plusquellic, David F. Optics Express, Vol. 19, Issue 9 https://doi.org/10.1364/OE.19.008973	journal	January 2011
ExoMol line lists III: An improved hot rotation-vibration line list for HCN and HNC Barber, R. J.; Strange, J. K.; Hill, C. arXiv https://doi.org/10.48550/arxiv.1311.1328	text	January 2013
A New Approach toward Transition State Spectroscopy Prozument, Kirill; Shaver, Rachel Glyn; Ciuba, Monika A. arXiv https://doi.org/10.48550/arxiv.1312.6345	text	January 2013
A study of the ozonolysis of isoprene in a cryogenic buffer gas cell by high resolution microwave spectroscopy Porterfield, Jessica P.; Eibenberger, Sandra; Patterson, Dave arXiv https://doi.org/10.48550/arxiv.1809.02878	text	January 2018

Similar Records

Photodissociation of vinyl cyanide at 193 nm: Nascent product distributions of the molecular elimination channels

Journal Article · 2009 · Journal of Chemical Physics · OSTI ID:21255526

Wilhelm, Michael J; Nikow, Matthew; Letendre, Laura; +1 more

Competing bond fission and molecular elimination channels in the photodissociation of CH[sub 3]NH[sub 2]

Journal Article · 1995 · Journal of Physical Chemistry; (United States) · OSTI ID:6765776

Waschewsky, G C.G.; Kitchen, D C; Browning, P W; +1 more

The photodissociation mechanisms of acrylonitrile: Ab initio calculations on reaction channels and surface intersections

Journal Article · 2008 · Journal of Chemical Physics · OSTI ID:21254853

Weina, Du; Cheng, Luo; Zesheng, Li

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
transition state
photolysis
vibrational population distribution
chirped-pulse millimeter-wave
spectroscopy
vibrational satellites
chirped-pulse millimeter-wave spectroscopy

Title: Photodissociation transition states characterized by chirped pulse millimeter wave spectroscopy

Citation Formats

References (99)

Similar Records

Related Subjects