Pure Rotational Spectrum and Electric Dipole Moment of CH3D

1969 ◽  
Vol 51 (11) ◽  
pp. 4873-4880 ◽  
Author(s):  
Irving Ozier ◽  
W. Ho ◽  
George Birnbaum
1977 ◽  
Vol 32 (8) ◽  
pp. 890-896 ◽  
Author(s):  
J. Wiese ◽  
D. H. Sutter

Abstract The microwave rotational spectrum of the most abundant species of 3-Cyanothiophene was investigated for the ground vibrational state. Rotational constants and centrifugal distortion constants are given. The electric dipole moment components μa and μb and the 14N-quadrupole coupling constant X + = X bb + X cc were determined from the Stark-effect splittings and hfs-splittings respectively. The experimental results are compared to CNDO/2 calculations and are discussed with reference to ring distortion.


1998 ◽  
Vol 192 (2) ◽  
pp. 441-448 ◽  
Author(s):  
R.D. Suenram ◽  
F.J. Lovas ◽  
A.R. Hight Walker ◽  
D.A. Dixon

1972 ◽  
Vol 27 (11) ◽  
pp. 1566-1570 ◽  
Author(s):  
E. Tiemann ◽  
E. Renwanz ◽  
J. Hoeft ◽  
T. Törring

Abstract Corrections resulting from the breakdown of the Born-Oppenheimer approximation were obtained by a detailed discussion of the higher order isotopic effects of the rotational constant Y01 . This analysis yields the sign of the electric dipole moment to be positive (+SiS-) and the sign of the molecular gJ-value to be negative. The magnitude of the adiabatic correction was evaluated.


1974 ◽  
Vol 29 (11) ◽  
pp. 1692-1694 ◽  
Author(s):  
E. Tiemann ◽  
M. Bojasehewsky ◽  
Ch. Sauter-Servaes ◽  
T. Törring

With the new saturation modulation the rotational spectrum of BaO was measured. The accuracy of the derived molecular constants is about an order of magnitude higher than in previous studies and some discrepancies are removed. It was demonstrated that measurements of the electric dipole moment are possible with microwave spectroscopy up to temperatures of 2000 K.


The microwave rotational spectra of the isotopic species H 2 18 0 • • • H 19 F, H 2180 • • • H 19 F, HD 16 0 • •. HF, D 2 16 0 • • • DF and D 2 18 0 • • • DF of the hydrogen bonded heterodimer formed between water and hydrogen fluoride have been observed and analysed to give rotational constants. Evidence from the effects of nuclear spin statistical weights in the spectra leads to the conclusion that the dimer H 20 • • • HF is either planar with C2V symmetry or pyramidal with Cg symmetry but with a low barrier to inversion of the configuration at oxygen. r0-values of the heavy atom distance 0 * • • F have been derived from the observed rotational constants, the value for H 2160 • • • H 19 F being 2.662 Aj. The measured values of electric dipole moment in the vibrational ground state and in the state having v^{0) = 1 are 4.07 and 3.80 D respectively. These values show that excitation of the out-of-plane hydrogen bonding bending mode vP(0) leads to a large decrease in the dipole moment.


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