Detailed Information on Publication Record
2002
N7- and N9-substituted purine derivatives: a 15N NMR study
MAREK, Radek, Jiří BRUS, Jaromír TOUŠEK, Lajos KOVÁCS, Dana HOCKOVÁ et. al.Basic information
Original name
N7- and N9-substituted purine derivatives: a 15N NMR study
Authors
MAREK, Radek (203 Czech Republic, guarantor, belonging to the institution), Jiří BRUS (203 Czech Republic), Jaromír TOUŠEK (203 Czech Republic, belonging to the institution), Lajos KOVÁCS (348 Hungary) and Dana HOCKOVÁ (203 Czech Republic)
Edition
Magnetic Resonance in Chemistry, West Sussex, John Wiley & Sons, Ltd. 2002, 0749-1581
Other information
Language
English
Type of outcome
Článek v odborném periodiku
Field of Study
10403 Physical chemistry
Country of publisher
United Kingdom of Great Britain and Northern Ireland
Confidentiality degree
není předmětem státního či obchodního tajemství
References:
Impact factor
Impact factor: 0.994
RIV identification code
RIV/00216224:14310/02:00005585
Organization unit
Faculty of Science
Keywords in English
NMR; 1H NMR; 15N NMR; isotropic chemical shifts; shift tensor; regio-isomerism; purine; quantum-chemical calculation
Tags
Změněno: 25/4/2014 17:43, prof. RNDr. Radek Marek, Ph.D.
Abstract
V originále
The 15N NMR chemical shifts of N7- and N9-purine derivatives were investigated systematically at the natural abundance level of the 15N isotope. The NMR chemical shifts were determined and assigned using GSQMBC, GHMBC, GHMQC, and GHSQC experiments in solution. 15N CP/MAS data were recorded for selected compounds in order to study the principal values of the 15N chemical shifts. Geometric parameters obtained by using RHF/6-31G** and single-crystal X-ray structural analysis were used to calculate the chemical-shielding constants (GIAO and IGLO) which were then used to assign the nitrogen resonances observed in the solid-state NMR spectra and to determine the orientation of the principal components of the shift tensors.
Links
| LN00A016, research and development project |
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