Electronic states of organic molecules. 6. Dipole and quadrupole moments: the sign of the dipole moment for cyclopropene and the microwave spectrum of 3,3-dimethylcyclopropene

1978 ◽  
Vol 100 (25) ◽  
pp. 7837-7840 ◽  
Author(s):  
Kenneth B. Wiberg ◽  
G. Barney Ellison ◽  
John J. Wendoloski ◽  
William E. Pratt ◽  
Marlin D. Harmony
Keyword(s):  
Dipole Moment ◽  
Organic Molecules ◽  
Electronic States ◽  
Microwave Spectrum ◽  
Quadrupole Moments

The Rotational Zeeman Effect of Molecules with Low Barrier Internal Rotation. II. Derivation of the Effective Rotorsional Hamiltonian

1978 ◽  
Vol 33 (12) ◽  
pp. 1525-1545 ◽  
Author(s):  
L. Engelbrecht ◽  
D .H . Sutter
Keyword(s):  
Magnetic Field ◽  
Dipole Moment ◽  
Zeeman Effect ◽  
Electronic States ◽  
Electric Quadrupole ◽  
Quadrupole Moments ◽  
Electron Charge ◽  
Oppenheimer Approximation ◽  
Experimental Values ◽  
Electron Charge Distribution

Abstract Theoretical expressions for the molecular parameters in the effective rotorsional Hamiltonian in a strong magnetic field are derived from a second order perturbation treatment within the electronic states which was adapted to the presence of a large am plitude internal motion. The technique developed m ay be o f use also in other applications where it should be necessary to go beyond the Born-Oppenheimer approximation. By use o f the theoretical expressions it is now possible to use experimentally determined Zeeman data to derive “experimental values” for the molecular electric quadrupole moments, the paramagnetic susceptibilities, the second m om ents o f the electron charge distribution, and the sign of the molecular electric dipole moment also for low barrier molecules.

Microwave spectrum, dipole moment, and conformation of ethanedithiol

1984 ◽  
Vol 81 (2) ◽  
pp. 1051-1053 ◽  
Author(s):  
R. N. Nandi ◽  
Chun‐Fu Su ◽  
Marlin D. Harmony
Keyword(s):  
Dipole Moment ◽  
Microwave Spectrum

scholarly journals The Microwave Spectrum of 3,4-Dihydro-1,2-Pyran

1985 ◽  
Vol 40 (9) ◽  
pp. 913-919
Author(s):  
Juan Carlos López ◽  
José L. Alonso
Keyword(s):  
Dipole Moment ◽  
Excited States ◽  
Ground State ◽  
Principal Axis ◽  
Microwave Spectrum ◽  
Average Intensity ◽  
Ring Conformation ◽  
Vibrationally Excited ◽  
Rotational Constants ◽  
Displacement Measurements

Abstract The rotational transitions of 3,4-dihydro-1,2-pyran in the ground state and six vibrationally excited states have been assigned. The rotational constants for the ground state (A = 5198.1847(24), B = 4747.8716(24) and C = 2710.9161(24) have been derived by fitting μa, μb and μc-type transitions. The dipole moment was determined from Stark displacement measurements to be 1.400(8) D with its principal axis components |μa| =1.240(2), |μb| = 0.588(10) and |μc| = 0.278(8) D. A model calculation to reproduce the ground state rotational constants indicates that the data are consistent with a twisted ring conformation. The average intensity ratio gives vibrational separations between the ground and excited states of the ring-bending and ring-twisting modes of ~ 178 and ~ 277 cm-1 respectively.

On the Microwave Spectrum and Electric Dipole Moment of Fluorobenzene

1959 ◽  
Vol 31 (5) ◽  
pp. 1438-1438 ◽  
Author(s):  
Dora G. de Kowalewski ◽  
Per Kökeritz ◽  
Hans Selén
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Microwave Spectrum

Phosphorus-phosphorus bond. III. Microwave spectrum, conformation, and dipole moment of phosphinodifluorophosphine

1971 ◽  
Vol 10 (11) ◽  
pp. 2505-2508 ◽  
Author(s):  
R. L. Kuczkowski ◽  
H. W. Schiller ◽  
R. W. Rudolph
Keyword(s):  
Dipole Moment ◽  
Microwave Spectrum

Microwave spectrum and dipole moment of Dewar benzene

1974 ◽  
Vol 25 (2) ◽  
pp. 290-292 ◽  
Author(s):  
David W.T. Griffith ◽  
Jay.E. Kent
Keyword(s):  
Dipole Moment ◽  
Microwave Spectrum
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