Quantum chemical study of the HCl molecule and its binary complexes with CO, C2H2, C2H4, PH3, H2S, HCN, H2O and NH3: Hydrogen bonding and its effect on the 35Cl nuclear quadrupole coupling constant

1990 ◽  
Vol 144 (1) ◽  
pp. 53-69 ◽  
Author(s):  
George B. Bacskay ◽  
Denise I. Kerdraon ◽  
Noel S. Hush
Keyword(s):  
Hydrogen Bonding ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Quadrupole Coupling Constant ◽  
Coupling Constant ◽  
Binary Complexes ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Weak Complexes of Dinitrogen: An Approach to the 14N-Nuclear Quadrupole Coupling Constant of Free N2

1992 ◽  
Vol 47 (1-2) ◽  
pp. 367-370 ◽  
Author(s):  
A. C. Legon ◽  
P. W. Fowler
Keyword(s):  
Ground States ◽  
Zero Point ◽  
Quadrupole Coupling Constant ◽  
Coupling Constants ◽  
Coupling Constant ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
Weak Complexes ◽  
Nuclear Quadrupole

AbstractThe 14N-nuclear quadrupole coupling constants χaa(14N<2>) and χaa(14N(1)) for the ground-states of the dimers 14N(2)14N(1) • • • HCCH and 14N(2)14N(1) • • • HC15N have been corrected for zero-point effects and for the electrical effects of the subunit HX to give two estimatesχ(14N) = -5.01 (13) and - 5.07 (8) MHz, respectively, for the coupling constant of the isolated 14N2 molecule

Rotationskonstante und Kernquadrupolkopplungskonstante des Trimethylehlorsilans, bestimmt aus Mikrowellenspektren / Rotational Constant and Nuclear Quadrupole Coupling Constant of Trimethylchlorosilane, Determined by Microwave Spectrum

1973 ◽  
Vol 28 (7) ◽  
pp. 1230-1232
Author(s):  
Werner Zeil ◽  
Bernhard Haas
Keyword(s):  
Quadrupole Splitting ◽  
Quadrupole Coupling Constant ◽  
Rotational Constant ◽  
Microwave Spectrum ◽  
Coupling Constant ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

The microwave spectrum of trimethylchlorosilane has been investigated between 8 and 20 GHz. The quadrupole splitting of the K = 0 lines of the transitions J = 2 → 3 and 3 → 4 have been determined. The quadrupole coupling constant of the Cl-35 atom is determined to -34.701 MHz, and the rotational constant is determined to B0 = 2197.382 MHz.

Formation of Cyanopolyynes in Gas Discharges

1978 ◽  
Vol 33 (10) ◽  
pp. 1169-1172 ◽  
Author(s):  
G. Winnewisser ◽  
R. A. Creswell ◽  
M. Winnewisser ◽  
M. Winnewisser
Keyword(s):  
Quadrupole Coupling Constant ◽  
Carbon Chain ◽  
Coupling Constant ◽  
Chain Molecules ◽  
Gas Discharges ◽  
Molecule Formation ◽  
Radiofrequency Discharge ◽  
Nuclear Quadrupole Coupling Constant ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract Cyanodiacetylene, H(C ≡ C)2 CN has been produced by a radiofrequency discharge in a mixture of acetylene, HCCH, and hydrogen cyanide, HCN. This reaction is of astrophysical importance, since it lends support to the possibility of the ion-molecule formation scheme of producing long carbon chain molecules in interstellar sources. From a measurement of the J = 4←3 transition of HC5N the nuclear quadrupole coupling constant eqQ = - 4.242 (30) MHz was determined.

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