Year 2005, Month 10 (Section Full Articles, Page 2441)
Synthesis, structure, and dynamic behavior in solution of arylamino-1,3,5-triazines 1. Unsymmetrically substituted arylamino-1,3,5-triazines
P. A. Belyakov (a), A. V. Shastin (b), and Yu. A. Strelenko (a)
Ten unsymmetrically substituted arylamino-1,3,5-triazines were synthesized and studied by dynamic NMR spectroscopy. The free energies of the hindered rotation ∆G≠ are in 59—77 kJ mol–1 range. Using differencemode NOE NMR experiments, the structures of the major and minor rotation isomers were proved. The DFT B3LYP/6-31G* calculations were performed. The difference between the calculated rotation barriers and the experimental values obtained by line shape analysis is less than 7.6 kJ mol–1. The height of the rotation barrier varies in a 18 kJ mol–1 range depending on the substituents in the triazine ring.
 BACK I wish to order PDF file of this article for 25.00 USD
|
ÐÓÑÑÊÀß ÂÅÐÑÈß
