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Molecular structure and association of diphenylguanidine in solution (1996)

Koll, Aleksander ; Rospenk, Maria ; Bureiko, Serguei F. ; [weitere]

Chichester : Wiley-Blackwell

Journal of Physical Organic Chemistry 9 (1996), S. 487-497

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Details

ISSN: 0894-3230

Schlagwort(e): Chemistry ; Theoretical, Physical and Computational Chemistry

Quelle: Wiley InterScience Backfile Collection 1832-2000

Thema: Chemie und Pharmazie , Physik

Notizen: 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.

Zusätzliches Material: 10 Ill.

Materialart: Digitale Medien

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