| STANDARA, Stanislav, Kateřina MALIŇÁKOVÁ, Radek MAREK, Jaromír MAREK, Michal HOCEK, Juha VAARA a Michal STRAKA. Understanding the NMR chemical shifts for 6-halopurines : role of structure, solvent and relativistic effects. Physical Chemistry Chemical Physics. Cambridge: Royal Society of Chemistry, 2010, roč. 12, č. 19, s. 5126–5139. ISSN 1463-9076. Dostupné z: https://dx.doi.org/10.1039/b921383j. |
Další formáty:
BibTeX
LaTeX
RIS
@article{890796,
author = {Standara, Stanislav and Maliňáková, Kateřina and Marek, Radek and Marek, Jaromír and Hocek, Michal and Vaara, Juha and Straka, Michal},
article_location = {Cambridge},
article_number = {19},
doi = {http://dx.doi.org/10.1039/b921383j},
keywords = {NMR;chemical shifts;purines;halopurines;DFT;BPPT;solvent effects;relativistic effects},
language = {eng},
issn = {1463-9076},
journal = {Physical Chemistry Chemical Physics},
title = {Understanding the NMR chemical shifts for 6-halopurines : role of structure, solvent and relativistic effects},
url = {http://pubs.rsc.org/en/Content/ArticleLanding/2010/CP/b921383j},
volume = {12},
year = {2010}
}
TY - JOUR
ID - 890796
AU - Standara, Stanislav - Maliňáková, Kateřina - Marek, Radek - Marek, Jaromír - Hocek, Michal - Vaara, Juha - Straka, Michal
PY - 2010
TI - Understanding the NMR chemical shifts for 6-halopurines : role of structure, solvent and relativistic effects
JF - Physical Chemistry Chemical Physics
VL - 12
IS - 19
SP - 5126–5139
EP - 5126–5139
PB - Royal Society of Chemistry
SN - 14639076
KW - NMR;chemical shifts;purines;halopurines;DFT;BPPT;solvent effects;relativistic effects
UR - http://pubs.rsc.org/en/Content/ArticleLanding/2010/CP/b921383j
N2 - A prototypical study of NMR chemical shifts in biologically relevant heteroaromatic compounds containing a heavy halogen atom is presented for two isomers of halogen-substituted purines. Complete sets of NMR chemical shifts are determined experimentally in solution. Experimental results are complemented by quantum-chemical calculations that provide understanding of the trends in the chemical shifts for the studied compounds and which show how different physical effects influence the NMR parameters.
ER -
STANDARA, Stanislav, Kateřina MALIŇÁKOVÁ, Radek MAREK, Jaromír MAREK, Michal HOCEK, Juha VAARA a Michal STRAKA. Understanding the NMR chemical shifts for 6-halopurines : role of structure, solvent and relativistic effects. \textit{Physical Chemistry Chemical Physics}. Cambridge: Royal Society of Chemistry, 2010, roč.~12, č.~19, s.~5126–5139. ISSN~1463-9076. Dostupné z: https://dx.doi.org/10.1039/b921383j.
|
