ISSN:
0894-3230
Keywords:
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Physics
Notes:
An experimental and theoretical study of the structure and aggregation of diphenylguanidine (DPhG) in non-polar and low-polarity solvents (CCl4, C6H6, C2HCl3 and CHCl3) was performed. Dipole moments, IR spectra and average molecular weight measurements as a function of concentration demonstrate that DPhG is strongly associated in the solvents studied. The dimerization constant in CCl4 is 192 ± 7 dm3mol-1. Experimental results and a theoretical discussion on the basis of MNDO-PM3 and -AM1 methods show that in low-polarity solvents DPhG exists in the form of an asymmetric tautomer, the same as was found in the solid-state structure.
Additional Material:
10 Ill.
Type of Medium:
Electronic Resource
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