Rotational spectrum of five isotopologues of cyclopropylmethylgermane: Ab initio calculations, barrier to internal rotation and nuclear quadrupole coupling constants for the 73Ge nucleus

2010 ◽  
Vol 981 (1-3) ◽  
pp. 54-58 ◽  
Author(s):  
Jonathan M. Murray ◽  
Michal M. Serafin ◽  
Amanda L. Steber ◽  
Sean A. Peebles ◽  
Rebecca A. Peebles ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Internal Rotation ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

scholarly journals Mikrowellenspektrum, Hinderungspotential der internen Rotation, Quadrupolkopplungskonstanten und Dipolmoment des 2-Methyl-Pyridins

1970 ◽  
Vol 25 (1) ◽  
pp. 25-35 ◽  
Author(s):  
H. Dreizler ◽  
H.D. Rudolph ◽  
H. Mäder
Keyword(s):  
Dipole Moment ◽  
Hyperfine Structure ◽  
Internal Rotation ◽  
Excited States ◽  
Stark Effect ◽  
Coupling Constants ◽  
Rotational Spectrum ◽  
Microwave Rotational Spectrum ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract The microwave rotational spectrum of 2-methyl-pyridine (a-picoline) has been investigated in the region from 6 to 30 kmc/s. From the three lowest states of internal rotation m=0, 1, 2 the three-and sixfold components V3 and V6 of the potential barrier hindering the internal rotation have been determined to be V3= (258,4 ± 0,1) cal/mole and V6=(-11,8± 0,1) cal/mole. From the splitting of low-J lines m=0 the nuclear quadrupole coupling constants for the 14N nucleus have been derived as χaa= (-0,33 ± 0,02) mc/s, χbb = (-2,86 ± 0,02) mc/s, χcc = (+3,19 ± 0,02) mc/s. The hyperfine structure of rotational transitions in excited states of internal rotation could also be accounted for with these coupling constants. The dipole moment components derived from Stark-effect measurements in the ground torsional state m = 0 are μa = (0,72 ± 0,01) Debye and μb - (1,71 ± 0,02) Debye.

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