scholarly journals Computational Chemistry Study of Molecular Interactions in CO2-loaded Diethylene Glycol, Triethylene Glycol, and Diethylene Glycol Dimethyl Ether

2016 ◽  
Vol 59 (5) ◽  
pp. 211-218 ◽  
Author(s):  
Yukihiro MURAKI ◽  
Ryo NAGUMO ◽  
Hidetaka YAMADA ◽  
Shuichi IWATA ◽  
Hideki MORI
Keyword(s):  
Computational Chemistry ◽  
Dimethyl Ether ◽  
Molecular Interactions ◽  
Diethylene Glycol ◽  
Triethylene Glycol ◽  
Glycol Dimethyl Ether ◽  
Diethylene Glycol Dimethyl Ether

Halogen NQR Studies in Certain Mercuric Halide-Polyether Complexes

1986 ◽  
Vol 41 (1-2) ◽  
pp. 236-239 ◽  
Author(s):  
S. Indumathy ◽  
K. R. Sridharan ◽  
J. Ramakrishna ◽  
G. Wulfsberg
Keyword(s):  
Temperature Variation ◽  
Dimethyl Ether ◽  
Mercuric Chloride ◽  
Diethylene Glycol ◽  
Triethylene Glycol ◽  
Mode Analysis ◽  
Torsional Mode ◽  
Glycol Dimethyl Ether ◽  
Average Temperature ◽  
Diethylene Glycol Dimethyl Ether

The temperature variation of 35Cl and 81Br NQR frequencies are reported for mercuric chloride · triethylene glycol dimethyl ether (HgCl2 · triglyme), mercuric chloride · diethylene glycol dimethyl ether (HgCl2 · diglyme), and mercuric bromide · diethylene glycol dimethyl ether (HgBr2 · diglyme). The frequencies have been assigned to the appropriate halogens using molecular models which take into account the various intra- and inter-molecular interactions in the solid state. The observed temperature variation of the NQR frequencies, in the range 77 -300 K. has been analysed using the two torsional mode analysis in the framework of the Bayer-Kushida-Brown method with Tatsuzaki’s correction to obtain the torsional frequencies and their average temperature coefficients.

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