Repozytorium
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Kolekcje
Inne
Molecular structure and association of diphenylguanidine in solution.
Autorzy
Rok wydania
1996
Czasopismo
Journal of Physical Organic Chemistry
Numer woluminu
9
Strony
487-497
DOI
10.1002/(SICI)1099-1395(199607)9:7<487::AID-POC805>3.0.CO;2-5
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
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.
Adres publiczny
https://doi.org/10.1002/(SICI)1099-1395(199607)9:7<487::AID-POC805>3.0.CO;2-5
Strona internetowa wydawcy
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