MALIŇÁKOVÁ, Kateřina, Lucie NOVOSADOVÁ, Matej PIPÍŠKA a Radek MAREK. Chemical Shift Tensors in Isomers of Adenine: Relation to Aromaticity of Purine Rings? ChemPhysChem. Weinheim: Wiley-VCH, 2011, roč. 12, č. 2, s. 379-388. ISSN 1439-4235. Dostupné z: https://dx.doi.org/10.1002/cphc.201000657. |
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@article{902421, author = {Maliňáková, Kateřina and Novosadová, Lucie and Pipíška, Matej and Marek, Radek}, article_location = {Weinheim}, article_number = {2}, doi = {http://dx.doi.org/10.1002/cphc.201000657}, keywords = {solid-state NMR; density-functional theory; X-ray diffraction; nucleus-independent chemical shift; supramolecular cluster}, language = {eng}, issn = {1439-4235}, journal = {ChemPhysChem}, title = {Chemical Shift Tensors in Isomers of Adenine: Relation to Aromaticity of Purine Rings?}, url = {http://dx.doi.org/10.1002/cphc.201000657}, volume = {12}, year = {2011} }
TY - JOUR ID - 902421 AU - Maliňáková, Kateřina - Novosadová, Lucie - Pipíška, Matej - Marek, Radek PY - 2011 TI - Chemical Shift Tensors in Isomers of Adenine: Relation to Aromaticity of Purine Rings? JF - ChemPhysChem VL - 12 IS - 2 SP - 379-388 EP - 379-388 PB - Wiley-VCH SN - 14394235 KW - solid-state NMR KW - density-functional theory KW - X-ray diffraction KW - nucleus-independent chemical shift KW - supramolecular cluster UR - http://dx.doi.org/10.1002/cphc.201000657 L2 - http://dx.doi.org/10.1002/cphc.201000657 N2 - 13C and 15N chemical shift tensors (CST) are measured, calculated, and compared for three N-benzyladenine isomers with an attempt to characterize differences in electron distribution in the purine ring related to the position of the substituent. Furthermore, the aromaticity of the purine rings is evaluated on the basis of nucleus-independent chemical shifts (NICS), and variations among the isomers are discussed. Both parameters indicate significant differences between the electronic properties of the N3-substituted compound and the N7/N9 pair of structures which can be viewed more generally as the reason for the different stabilities of the individual tautomers. ER -
MALIŇÁKOVÁ, Kateřina, Lucie NOVOSADOVÁ, Matej PIPÍŠKA a Radek MAREK. Chemical Shift Tensors in Isomers of Adenine: Relation to Aromaticity of Purine Rings? \textit{ChemPhysChem}. Weinheim: Wiley-VCH, 2011, roč.~12, č.~2, s.~379-388. ISSN~1439-4235. Dostupné z: https://dx.doi.org/10.1002/cphc.201000657.
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