ISSN:
1572-9001
Keywords:
NMR
;
[13C]NMR
;
2,4-bis(N-pyrrolidinyl)6-chloro-s-triazine
;
variable temperature
;
molecular modeling
;
rotational barrier
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The room temperature [13C]NMR spectrum of 2,4-bis(N-pyrrolidinyl)-6-chloro-s-triazine shows doubled signals for the pyrrolidine rings, which suggests restricted rotation about the Ar-C—N bond. The rotational barrier around this bond was determined by [13C]dynamic NMR (DNMR) spectra run at different increasing temperatures and also by the PM3 Hamiltonian contained in the MOPAC package. The values thus obtained, 16.6 and 13.6 kcal mol−1, respectively, are in good agreement.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1009238326751
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