Ethylcarbene versus Direct Propene Formation in the Near-UV Photodissociation of Ethylketene

Datta, Sagnik; Davis, H. Floyd

doi:10.1021/acs.jpca.2c06457

Ethylcarbene versus Direct Propene Formation in the Near-UV Photodissociation of Ethylketene

Journal Article · 06 January 2023 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI:https://doi.org/10.1021/acs.jpca.2c06457· OSTI ID:2418907

Datta, Sagnik ^[1]; ^[2]

Department of Chemistry and Chemical BiologyCornell UniversityIthaca, New York14853-1301, United States; OSTI
Department of Chemistry and Chemical BiologyCornell UniversityIthaca, New York14853-1301, United States

Not provided.

Research Organization:: Cornell Univ., Ithaca, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: FG02-00ER15095

OSTI ID:: 2418907

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Journal Issue: 2 Vol. 127; ISSN 1089-5639

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

References (32)

Rearrangement of Dimethylcarbene to Propene: Study by Laser Flash Photolysis and ab Initio Molecular Orbital Theory Ford, Francis; Yuzawa, Tetsuro; Platz, Matthew S. Journal of the American Chemical Society, Vol. 120, Issue 18 https://doi.org/10.1021/ja9724598	journal	May 1998
Direct Observation of Ethylidene (CH ₃ CH), the Elusive High-Energy Isomer of Ethylene Datta, Sagnik; Davis, H. Floyd The Journal of Physical Chemistry Letters, Vol. 11, Issue 24 https://doi.org/10.1021/acs.jpclett.0c03282	journal	December 2020
Methylene: A study of the X ̃ ³ B ₁ and a ̃ ¹ A ₁ states by photoelectron spectroscopy of CH ⁻ ₂ and CD ⁻ ₂ Leopold, Doreen G.; Murray, Kermit K.; Miller, Amy E. Stevens The Journal of Chemical Physics, Vol. 83, Issue 10 https://doi.org/10.1063/1.449746	journal	November 1985
Photochemistry of matrix-isolated diazoethane and methyldiazirine: ethylidene trapping? Seburg, Randal A.; McMahon, Robert J. Journal of the American Chemical Society, Vol. 114, Issue 18 https://doi.org/10.1021/ja00044a034	journal	August 1992
Dimethylcarbene: A Singlet Ground State? Richards, Claude A.; Kim, Seung-Joon; Yamaguchi, Yukio Journal of the American Chemical Society, Vol. 117, Issue 40 https://doi.org/10.1021/ja00145a023	journal	October 1995
Photofragmentation of ketene to CH2(~X3B1) + CO. 1. Barrier height and dissociation rate constant Chen, I. Chia.; Moore, C. Bradley. The Journal of Physical Chemistry, Vol. 94, Issue 1 https://doi.org/10.1021/j100364a043	journal	January 1990
Studies of bimolecular reaction dynamics using pulsed high-intensity vacuum-ultraviolet lasers for photoionization detection Albert, Daniel R.; Davis, H. Floyd Physical Chemistry Chemical Physics, Vol. 15, Issue 35 https://doi.org/10.1039/c3cp51930a	journal	January 2013
Bystander Effects on Carbene Rearrangements: A Computational Study Hill, Brian T.; Zhu, Zhendong; Boeder, Aaron The Journal of Physical Chemistry A, Vol. 106, Issue 19 https://doi.org/10.1021/jp020108w	journal	April 2002
Theory of the angular distribution of molecular photofragments Yang, Sze‐cheng; Bersohn, Richard The Journal of Chemical Physics, Vol. 61, Issue 11 https://doi.org/10.1063/1.1681757	journal	December 1974
Experimental evidence for ethylidene-d4 Modarelli, David A.; Platz, Matthew S. Journal of the American Chemical Society, Vol. 115, Issue 2 https://doi.org/10.1021/ja00055a016	journal	January 1993
Methylene singlet–triplet energy splitting by molecular beam photodissociation of ketene Hayden, Carl C.; Neumark, Daniel M.; Shobatake, Kosuke The Journal of Chemical Physics, Vol. 76, Issue 7 https://doi.org/10.1063/1.443397	journal	April 1982
Theoretical predictions of activation energies for 1,2-hydrogen shifts in singlet carbenes Evanseck, J. D.; Houk, K. N. The Journal of Physical Chemistry, Vol. 94, Issue 14 https://doi.org/10.1021/j100377a020	journal	July 1990
Carbene formation, hydrogen migration, and fluorescence in the excited states of dialkyldiazirines Modarelli, David A.; Morgan, Scott; Platz, Matthew S. Journal of the American Chemical Society, Vol. 114, Issue 18 https://doi.org/10.1021/ja00044a013	journal	August 1992
The 1,2 hydrogen shift: a common vehicle for the disappearance of evanescent molecular species Schaefer, Henry F. Accounts of Chemical Research, Vol. 12, Issue 8 https://doi.org/10.1021/ar50140a004	journal	August 1979
Laser Flash Photolysis Studies: 1,2-Hydrogen Migration to a Carbene Liu, Michael T. H. Accounts of Chemical Research, Vol. 27, Issue 10 https://doi.org/10.1021/ar00046a001	journal	October 1994
CASPT2 Study of Photodissociation Pathways of Ketene Xiao, Hongyan; Maeda, Satoshi; Morokuma, Keiji The Journal of Physical Chemistry A, Vol. 117, Issue 32 https://doi.org/10.1021/jp312719a	journal	February 2013
Heats of Formation of Triplet Ethylene, Ethylidene, and Acetylene ^† Nguyen, Minh Tho; Matus, Myrna H.; Lester,, William A. The Journal of Physical Chemistry A, Vol. 112, Issue 10 https://doi.org/10.1021/jp074769a	journal	March 2008
Methylcarbene: the singlet-triplet energy separation Gallo, Mary M.; Schaefer, Henry F. The Journal of Physical Chemistry, Vol. 96, Issue 4 https://doi.org/10.1021/j100183a001	journal	February 1992
Carbenes in matrixes: spectroscopy, structure, and reactivity Sander, Wolfram.; Bucher, Goetz.; Wierlacher, Stefan. Chemical Reviews, Vol. 93, Issue 4 https://doi.org/10.1021/cr00020a009	journal	June 1993
Interception of dimethylcarbene with pyridine: a laser flash photolysis study Modarelli, David A.; Platz, Matthew S. Journal of the American Chemical Society, Vol. 113, Issue 23 https://doi.org/10.1021/ja00023a079	journal	November 1991
Carbenes and nitrenes. An overview Shainyan, Bagrat A.; Kuzmin, Anton V.; Moskalik, Mikhail Yu. Computational and Theoretical Chemistry, Vol. 1006 https://doi.org/10.1016/j.comptc.2012.11.025	journal	February 2013
Isotope Effects in the Photoionization Yields and the Absorption Cross Sections for Acetylene, Propyne, and Propene Person, James C.; Nicole, Paul P. The Journal of Chemical Physics, Vol. 53, Issue 5 https://doi.org/10.1063/1.1674254	journal	September 1970
The Inhalation Toxicity of Ketene and of Ketene Dimer Wooster, H. A.; Lushbaugh, C. C.; Redeman, C. E. Journal of the American Chemical Society, Vol. 68, Issue 12 https://doi.org/10.1021/ja01216a526	journal	December 1946
Universal crossed molecular beams apparatus with synchrotron photoionization mass spectrometric product detection Yang, X.; Lin, J.; Lee, Y. T. Review of Scientific Instruments, Vol. 68, Issue 9 https://doi.org/10.1063/1.1148291	journal	September 1997
Do Diradicals Behave Like Radicals? Stuyver, Thijs; Chen, Bo; Zeng, Tao Chemical Reviews, Vol. 119, Issue 21 https://doi.org/10.1021/acs.chemrev.9b00260	journal	October 2019
Photoisomerization of Methyl Vinyl Ketone and Methacrolein in the Troposphere: A Theoretical Investigation of Ground-State Reaction Pathways So, Sui; Wille, Uta; da Silva, Gabriel ACS Earth and Space Chemistry, Vol. 2, Issue 8 https://doi.org/10.1021/acsearthspacechem.8b00066	journal	June 2018
Singlet Methylcarbene: Equilibrium Geometry or Transition State? Ma, Buyong; Schaefer, Henry F. Journal of the American Chemical Society, Vol. 116, Issue 8 https://doi.org/10.1021/ja00087a046	journal	April 1994
Dimethylcarbene versus Direct Propene Formation in Dimethylketene Photodissociation Datta, Sagnik; Davis, H. Floyd The Journal of Physical Chemistry A, Vol. 125, Issue 32 https://doi.org/10.1021/acs.jpca.1c03641	journal	August 2021
Picosecond dissociation of ketene: Experimental state-to-state rates and tests of statistical theories Potter, E. D.; Gruebele, M.; Khundkar, L. R. Chemical Physics Letters, Vol. 164, Issue 5 https://doi.org/10.1016/0009-2614(89)85239-X	journal	December 1989
High-intensity coherent vacuum ultraviolet source using unfocussed commercial dye lasers Albert, Daniel R.; Proctor, David L.; Floyd Davis, H. Review of Scientific Instruments, Vol. 84, Issue 6 https://doi.org/10.1063/1.4806801	journal	June 2013
Determination of the singlet/triplet branching ratio in the photodissociation of ketene Kim, Sang Kyu; Choi, Young S.; Pibel, Charles D. The Journal of Chemical Physics, Vol. 94, Issue 3 https://doi.org/10.1063/1.459917	journal	February 1991
A Perspective on Physical Organic Chemistry Platz, Matthew S. The Journal of Organic Chemistry, Vol. 79, Issue 6 https://doi.org/10.1021/jo500044d	journal	March 2014

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