Rotational Correlation Functions and Neutron Scattering by Symmetric Molecules

1970 ◽  
Vol 1 (3) ◽  
pp. 970-974 ◽  
Author(s):  
Ashok K. Agrawal ◽  
Sidney Yip
Keyword(s):  
Neutron Scattering ◽  
Correlation Functions ◽  
Rotational Correlation

Infrared spectra, rotational correlation functions, and intermolecular mean squared torques in compressed gaseous methane

1968 ◽  
Vol 46 (11) ◽  
pp. 1331-1340 ◽  
Author(s):  
R. L. Armstrong ◽  
S. M. Blumenfeld ◽  
C. G. Gray
Keyword(s):  
Correlation Functions ◽  
Theoretical Calculations ◽  
Dominant Contribution ◽  
Dispersion Interactions ◽  
Fundamental Vibration ◽  
Order Of Magnitude ◽  
The Mean ◽  
Vibration Rotation ◽  
Experimental Values ◽  
Rotational Correlation

Extensive measurements of the methane ν3 and ν4 fundamental vibration–rotation bands in CH4–He mixtures and the ν3 band in CH4–He, CH4–N2, and CD4–He mixtures have been carried out in infrared absorption at 295 °K to pressures of 3000 atm. Some profiles of the ν3 band in CH4–Ar mixtures and in pure CH4 have also been obtained. Rotational correlation functions, band moments, and intermolecular mean squared torques have been determined from the ν3 band profiles. Theoretical calculations of the mean squared torque due to anisotropic multipolar, induction and dispersion interactions have been carried out. The theoretical and experimental torques are in order-of-magnitude agreement for the CH4–N2 and CH4–CH4 systems; for CH4–He, CD4–He, and CH4–Ar the theoretical values are two to three orders of magnitude too small to account for the experimental values, indicating that in these cases the dominant contribution to the torques is given by the anisotropic overlap forces.

Determining if a System is Heterogeneous: The Analysis of Single Molecule Rotational Correlation Functions and Their Limitations

2007 ◽  
Vol 17 (6) ◽  
pp. 797-804 ◽  
Author(s):  
Chia-Yin Joyce Wei ◽  
Chun-Yaung Lu ◽  
Yeon Ho Kim ◽  
David A. Vanden Bout
Keyword(s):  
Single Molecule ◽  
Correlation Functions ◽  
Rotational Correlation
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