Vibrational spectra for t r a n s‐dimethyldi azene‐1,1,1‐d 3 (azomethane). Potential functions for t r a n s‐dimethyldi azene and t r a n s‐methyldiaz ene

Title:
Vibrational spectra for t r a n s‐dimethyldi azene‐1,1,1‐d 3 (azomethane). Potential functions for t r a n s‐dimethyldi azene and t r a n s‐methyldiaz ene
Authors:
Craig, Norman C.; Ackermann, Martin N.; MacPhail, Richard A.
Abstract:
Gas‐phase and matrix infrared spectra and gas‐, liquid‐, and solid‐phase Raman spectra of t r a n s‐dimethyldiazene‐1,1,1‐d 3 (CH3N=NCD3) have been recorded. A complete vibrational assignment has been secured for this molecule based on direct observation of 23 of the 24 fundamentals. Gas‐phase Raman spectra have also been obtained for t r a n s‐dimethyldiazene‐d 0 and ‐d 6, which supplement published infrared and Raman spectra. On the basis of these spectra and the assignment for the d 3 isotopic species revised vibrational assignments for the d 0 and d 6 species are proposed. The valence‐type potential function that was fitted to the d 0 and d 6 molecules by Pearce, Levin, and Harris has been confirmed and refined by including the frequencies of the d 3 molecule in a normal coordinate calculation. This potential function has also been adapted to t r a n s‐methyldiazene (CH3N=NH). The potential energy distributions for these two simple diazenes correlate closely for many of the normal modes. For the methyl group torsional frequencies of t r a n s‐methyldiazene contributions of both kinetic and potential energy coupling are identified.
Citation:
Craig, Norman C., Martin N. Ackermann, and Richard A. MacPhail. 1978. "Vibrational spectra for trans‐dimethyldiazene‐1,1,1‐d3 (azomethane). Potential functions for trans‐dimethyldiazene and trans‐methyldiazene." Journal of Chemical Physics 68: 236-246.
Publisher:
AIP Publishing
DATE ISSUED:
1978
Department:
Chemistry
Type:
Article
PUBLISHED VERSION:
10.1063/1.435488
PERMANENT LINK:
http://hdl.handle.net/11282/334124

Full metadata record

DC FieldValue Language
dc.contributor.authorCraig, Norman C.en
dc.contributor.authorAckermann, Martin N.en
dc.contributor.authorMacPhail, Richard A.en
dc.date.accessioned2014-11-10T14:14:14Z-
dc.date.available2014-11-10T14:14:14Z-
dc.date.issued1978en
dc.identifier.citationCraig, Norman C., Martin N. Ackermann, and Richard A. MacPhail. 1978. "Vibrational spectra for trans‐dimethyldiazene‐1,1,1‐d3 (azomethane). Potential functions for trans‐dimethyldiazene and trans‐methyldiazene." Journal of Chemical Physics 68: 236-246.en
dc.identifier.issn0021-9606en
dc.identifier.urihttp://hdl.handle.net/11282/334124-
dc.description.abstractGas‐phase and matrix infrared spectra and gas‐, liquid‐, and solid‐phase Raman spectra of t r a n s‐dimethyldiazene‐1,1,1‐d 3 (CH3N=NCD3) have been recorded. A complete vibrational assignment has been secured for this molecule based on direct observation of 23 of the 24 fundamentals. Gas‐phase Raman spectra have also been obtained for t r a n s‐dimethyldiazene‐d 0 and ‐d 6, which supplement published infrared and Raman spectra. On the basis of these spectra and the assignment for the d 3 isotopic species revised vibrational assignments for the d 0 and d 6 species are proposed. The valence‐type potential function that was fitted to the d 0 and d 6 molecules by Pearce, Levin, and Harris has been confirmed and refined by including the frequencies of the d 3 molecule in a normal coordinate calculation. This potential function has also been adapted to t r a n s‐methyldiazene (CH3N=NH). The potential energy distributions for these two simple diazenes correlate closely for many of the normal modes. For the methyl group torsional frequencies of t r a n s‐methyldiazene contributions of both kinetic and potential energy coupling are identified.en
dc.language.isoen_USen
dc.publisherAIP Publishingen
dc.identifier.doi10.1063/1.435488en
dc.subject.departmentChemistryen
dc.titleVibrational spectra for t r a n s‐dimethyldi azene‐1,1,1‐d 3 (azomethane). Potential functions for t r a n s‐dimethyldi azene and t r a n s‐methyldiaz eneen
dc.typeArticleen
dc.identifier.journalJournal of Chemical Physicsen
dc.identifier.volume68en
dc.identifier.startpage236en
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