Stark effects in the rotational spectrum of the dimer H2O⋅⋅⋅HF and the variation of the electric dipole moment with excitation of the low‐frequency, hydrogen‐bond modes

1983 ◽  
Vol 78 (6) ◽  
pp. 2910-2914 ◽  
Author(s):  
Z. Kisiel ◽  
A. C. Legon ◽  
D. J. Millen
RSC Advances ◽  
2017 ◽  
Vol 7 (11) ◽  
pp. 6236-6241 ◽  
Author(s):  
Tomoaki Kanetou ◽  
Ryo Tsunashima ◽  
Norihisa Hoshino ◽  
Tomoyuki Akutagawa

Our results clarified uniqueness in hydrogen bonding TTFPy dimer in which proton in hydrogen bond was thermally fluctuated. In addition, the fluctuation was coupled with π-electronic systems of TTF moiety where electric dipole moment was amplified.


1988 ◽  
Vol 31 (2) ◽  
pp. 161-163
Author(s):  
A. V. Ploshinskii ◽  
I. V. Khakhamov

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.


1969 ◽  
Vol 51 (11) ◽  
pp. 4873-4880 ◽  
Author(s):  
Irving Ozier ◽  
W. Ho ◽  
George Birnbaum

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

1974 ◽  
Vol 52 (15) ◽  
pp. 1429-1437 ◽  
Author(s):  
E. A. Scarl ◽  
F. W. Dalby

A LoSurdo discharge was used to apply electric fields of up to 290 kV/cm to a mixture of cyanogen and hydrogen, and to ammonia, permitting the observation of Stark effects in the optical spectra of the CH and NH molecules, respectively. These experiments yielded the following values of the molecular electric dipole moment in the ground vibrational states: μ(CH, A2Δ) = 0.887 ± 0.045 D, and μ(NH, X3Σ) = 1.389 ± 0.075 D. A table of experimental and theoretical dipole moments of first-row hydrides is included.


1981 ◽  
Vol 36 (12) ◽  
pp. 1378-1385 ◽  
Author(s):  
Dines Christen ◽  
John H. Griffiths ◽  
John Sheridan

Spectra have been measured for eleven isotopic forms of imidazole, including single substitutions at each nucleus in turn. A complete rs-structure is obtained. The ring structure is: N(1)-C(2) = 1.364 Å, C(2)-N(3) = 1.314 Å, N(3)-C(4) = 1.382 Å, C(4)-C(5) = 1.364 Å, C(5)-N(1) = 1.377 Å, ≮N(1)C(2)N(3) = 112.0°, ≮C(2)N(3)C(4) = 104.9°, ≮N(3)C(4)C(5) = 110.7°, ≮C(4)C(5)N(1) = 105.5° and ≮C(5)N(1)C(2) = 106.9°. The N(1)-H(1) distance is 0.998 Å, while the C-H distances are all very close to 1.078 Å. The bonds N(1)-H(1) and C(2)-H(2) lie close to the external bisectors of the respective ring angles, but C(4)-H(4) and C(5)-H(5) are each displaced by several degrees from these bisectors towards N(3) and N(1) respectively. The electric dipole moment is established as 3.67 (5) D from Stark effects, directed almost parallel with the line joining the nitrogen nuclei. The properties and orientations of the two 14N-nuclear quadrupole tensors have been investigated, in particular through the spectra of the two mono-14N-imidazoles.


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.


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