In:
The Journal of Chemical Physics, AIP Publishing, Vol. 50, No. 5 ( 1969-03-01), p. 2063-2069
Abstract:
Ground-state rotational spectra of HCH3CN2 and HCD3CN2 have been assigned, and the structural parameters obtained by least-squares fitting the observed moments are r(CN) = 1.481 ± 0.01 Å, r(CC) = 1.501 ± 0.01 Å, r(NN) = 1.235 ± 0.005 Å, and ∢N2CC = 122.3 ± 0.6°. The internal rotation splittings for HCH3CN2 and HCD3CN2 yield barriers of 773.9 and 770.4 ± 1.0 cal/mole, respectively. The quadrupole coupling constants χaa, χbb, and χcc are + 0.48 ± 0.8, − 2.53 ± 0.4, and + 2.05 ± 0.4 MHz for HCH3CN2 and 0.20 ± 0.8, − 2.36 ± 0.4, and + 2.16 ± 0.4 MHz for HCD3CN2. Analysis of the Stark effect give a dipole moment of 2.03 ± 0.07 D for HCH3CN2 and 2.02 ± 0.07 D for HCD3CN2.
Type of Medium:
Online Resource
ISSN:
0021-9606
,
1089-7690
Language:
English
Publisher:
AIP Publishing
Publication Date:
1969
detail.hit.zdb_id:
3113-6
detail.hit.zdb_id:
1473050-9
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