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Title: Dissociation dynamics of 3- and 4-nitrotoluene radical cations: Coherently driven C–NO 2 bond homolysis

Authors:
 [1] ; ORCiD logo [2] ;  [3] ; ORCiD logo [1]
  1. Department of Chemistry, Virginia Commonwealth University, Richmond, Virginia 23284, USA
  2. Department of Physics, Florida A&,M University, Tallahassee, Florida 32307, USA
  3. Department of Physics, Virginia Commonwealth University, Richmond, Virginia 23284, USA
Publication Date:
Grant/Contract Number:
FG02-96ER45579
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 148 Journal Issue: 13; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1431391

Ampadu Boateng, Derrick, Gutsev, Gennady L., Jena, Puru, and Tibbetts, Katharine Moore. Dissociation dynamics of 3- and 4-nitrotoluene radical cations: Coherently driven C–NO 2 bond homolysis. United States: N. p., Web. doi:10.1063/1.5024892.
Ampadu Boateng, Derrick, Gutsev, Gennady L., Jena, Puru, & Tibbetts, Katharine Moore. Dissociation dynamics of 3- and 4-nitrotoluene radical cations: Coherently driven C–NO 2 bond homolysis. United States. doi:10.1063/1.5024892.
Ampadu Boateng, Derrick, Gutsev, Gennady L., Jena, Puru, and Tibbetts, Katharine Moore. 2018. "Dissociation dynamics of 3- and 4-nitrotoluene radical cations: Coherently driven C–NO 2 bond homolysis". United States. doi:10.1063/1.5024892.
@article{osti_1431391,
title = {Dissociation dynamics of 3- and 4-nitrotoluene radical cations: Coherently driven C–NO 2 bond homolysis},
author = {Ampadu Boateng, Derrick and Gutsev, Gennady L. and Jena, Puru and Tibbetts, Katharine Moore},
abstractNote = {},
doi = {10.1063/1.5024892},
journal = {Journal of Chemical Physics},
number = 13,
volume = 148,
place = {United States},
year = {2018},
month = {4}
}

Works referenced in this record:

Density‐functional thermochemistry. III. The role of exact exchange
journal, April 1993
  • Becke, Axel D.
  • The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652
  • DOI: 10.1063/1.464913

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
journal, November 1994
  • Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.
  • The Journal of Physical Chemistry, Vol. 98, Issue 45, p. 11623-11627
  • DOI: 10.1021/j100096a001