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Article: High overtone resonance Raman spectra of photodissociating nitromethane in solution

TitleHigh overtone resonance Raman spectra of photodissociating nitromethane in solution
Authors
Issue Date1991
Citation
Journal Of Physical Chemistry, 1991, v. 95 n. 19, p. 7164-7171 How to Cite?
AbstractResonance Raman spectra of nitromethane have been obtained in cyclohexane, acetonitrile, and water solvents with excitation at 218 and 200 nm and in the vapor at 218 nm. Fully deuterated nitromethane has also been examined in both vapor and solution phases. Resolvable Raman lines are observed at energies up to 15 000 cm-1, which is approximately the lowest dissociation limit (to ground-state CH3O + NO). The spectra in solution and in the vapor are qualitatively similar in that overtone progressions in the NO2 symmetric stretch dominate, but the higher signal-to-noise ratio of the solution-phase data allows many weaker transitions to be observed as well. The vibrational frequencies and bandwidths are interpreted qualitatively to explore solvation effects on the ground-state potential surface. The resonance Raman intensities are modeled with a simple theoretical treatment employing wave packet propagation on a single electronic surface. This approach does a reasonable job of reproducing the relative and absolute solution-phase intensities, but some deviations between experimental and calculated combination band intensities are observed. © 1991 American Chemical Society.
Persistent Identifierhttp://hdl.handle.net/10722/167870
ISSN
1998 Impact Factor: 4.173
1999 SCImago Journal Rankings: 1.721
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorPhillips, DLen_US
dc.contributor.authorMyers, ABen_US
dc.date.accessioned2012-10-08T03:12:20Z-
dc.date.available2012-10-08T03:12:20Z-
dc.date.issued1991en_US
dc.identifier.citationJournal Of Physical Chemistry, 1991, v. 95 n. 19, p. 7164-7171en_US
dc.identifier.issn0022-3654en_US
dc.identifier.urihttp://hdl.handle.net/10722/167870-
dc.description.abstractResonance Raman spectra of nitromethane have been obtained in cyclohexane, acetonitrile, and water solvents with excitation at 218 and 200 nm and in the vapor at 218 nm. Fully deuterated nitromethane has also been examined in both vapor and solution phases. Resolvable Raman lines are observed at energies up to 15 000 cm-1, which is approximately the lowest dissociation limit (to ground-state CH3O + NO). The spectra in solution and in the vapor are qualitatively similar in that overtone progressions in the NO2 symmetric stretch dominate, but the higher signal-to-noise ratio of the solution-phase data allows many weaker transitions to be observed as well. The vibrational frequencies and bandwidths are interpreted qualitatively to explore solvation effects on the ground-state potential surface. The resonance Raman intensities are modeled with a simple theoretical treatment employing wave packet propagation on a single electronic surface. This approach does a reasonable job of reproducing the relative and absolute solution-phase intensities, but some deviations between experimental and calculated combination band intensities are observed. © 1991 American Chemical Society.en_US
dc.languageengen_US
dc.relation.ispartofJournal of Physical Chemistryen_US
dc.titleHigh overtone resonance Raman spectra of photodissociating nitromethane in solutionen_US
dc.typeArticleen_US
dc.identifier.emailPhillips, DL:phillips@hku.hken_US
dc.identifier.authorityPhillips, DL=rp00770en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.doi10.1021/j100172a015-
dc.identifier.scopuseid_2-s2.0-0542434171en_US
dc.identifier.volume95en_US
dc.identifier.issue19en_US
dc.identifier.spage7164en_US
dc.identifier.epage7171en_US
dc.identifier.isiWOS:A1991GG38300015-
dc.identifier.scopusauthoridPhillips, DL=7404519365en_US
dc.identifier.scopusauthoridMyers, AB=7202743342en_US

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