Vibrational spectra of cis-dimethyldiazene-d/sub 0/, -1,1,1-d/sub 3/, and -d/sub 6/

Journal Article · Thu May 03 04:00:00 EDT 1979 · J. Phys. Chem.; (United States)

DOI:https://doi.org/10.1021/j100472a017· OSTI ID:6041412

Ackermann, M N; Craig, N C; Isberg, R R; Lauter, D M; Tacy, E P

Gas- and solid-phase infrared spectra and liquid- and solid-phase Raman spectra of cis-dimethyldiazene-d/sub 0/, -1,1,1-d/sub 3/, and -d/sub 6/(cis-CH/sub 3/N=NCH/sub 3/,cis-CD/sub 3/N=NCH/sub 3/, and cis-CD/sub 3/N=NCD/sub 3/) have been recorded. A virtually complete assignment of the vibrational fundamentals has been made for the set of molecules with frequencies being given for all but four of the 72 fundamentals. The vibrational spectra support C/sub 2//sub v/ symmetry for the d/sub 0/ and d/sub 6/ molecules but not distinguish between the two possible conformers of this symmetry. The frequencies have been computed at the zero-order level with a potential function transferred from trans-dimethyldiazene. These predicted frequencies aided the assignments for the cis molecules and provided a basis for analyzing some of the observed frequencies. The observed spectra contain a number of features which have been interpreted as evidence of crowding between the two methyl groups in cis-dimethyldiazene. The fundamentals for the undeuterated molecule are as follows, in cm/sup -1/: (a/sub 1/) 3006,2904,1561,1438,1370,1087,861,398; (a/sub 2/) 2960,1477,1170,463,242; (b/sub 1/) 3019,2920,1430,1359,1159,935,624; (b/sub 2/) 2960,1460,935,....

• Research Organization: Oberlin Coll., OH
• OSTI ID: 6041412
• Journal Information: J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 83:9; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400302* -- Organic Chemistry-- Isotope Effects-- (-1987)
DATA
DATA FORMS
DEUTERIUM
ENERGY LEVELS
EXCITED STATES
EXPERIMENTAL DATA
HETEROCYCLIC COMPOUNDS
HYDROGEN ISOTOPES
INFORMATION
INFRARED SPECTRA
ISOLATED VALUES
ISOTOPE EFFECTS
ISOTOPES
LIGHT NUCLEI
NUCLEI
NUMERICAL DATA
ODD-ODD NUCLEI
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
RAMAN SPECTRA
SPECTRA
STABLE ISOTOPES
VIBRATIONAL STATES