Microwave rotational spectrum, ring-puckering vibrations, ring conformation and electric dipole moment of γ-crotonolactone

Author(s):  
José L. Alonso ◽  
Anthony C. Legon

The microwave rotational spectrum of the hydrogen-bonded, linear heterodimer HCN • • • HF has been identified and a number of spectroscopic constants have been measured in a detailed analysis. The spectroscopic constants have been used in a variety of ways in order to evaluate parameters characterizing the potential energy function of the isolated dimer. An investigation of the Stark effect of two rotational transitions of HCN • • • HF has led to an accurate value of the electric dipole moment of the dimer and hence to the enhancement on dimer formation.


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

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.


Sign in / Sign up

Export Citation Format

Share Document