ISSN:
1573-1111
Keywords:
1,2,4,5-Tetra(morpholinocarbonyl) benzene
;
water
;
ethylene glycol
;
methanol
;
ethanol
;
guest-guest interaction
;
guest-host interaction
;
crystal stabilization
;
relative stability
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Molecular inclusion by the new amide host molecule (TMB) has been reconsidered by calculating the crystal stabilization energies for the guest molecules in the TMB + guest system from the simple intermolecular potential functions of Caillet and Claverie. Water, ethylene glycol, methanol, and ethanol have been employed as guest molecules and their relative stabilities have been considered. Water has been found to be the most suitable guest molecule in the TMB + guest system. It also has been found that the guest host interaction is the most important contributor in determining the relative stabilities of the guest molecules in the TMB + guest system, but the guest guest interaction is very important, too. Moreover, the electrostatic interaction has been found to be the most important contributor to the total interaction energy in the TMB + guest system.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01076990
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