Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Influence of Positive Charge on the NMR Parameters of Mono- and Diprotonated Forms of 4-Dimethylaminopyridine. / Genaev, Alexander M.; Salnikov, George E.; Koltunov, Konstantin Yu.
в: Chemistry of Heterocyclic Compounds, Том 56, № 7, 01.07.2020, стр. 892-897.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Influence of Positive Charge on the NMR Parameters of Mono- and Diprotonated Forms of 4-Dimethylaminopyridine
AU - Genaev, Alexander M.
AU - Salnikov, George E.
AU - Koltunov, Konstantin Yu
PY - 2020/7/1
Y1 - 2020/7/1
N2 - By the example of 4-dimethylaminopyridine and some of its derivatives taken as model nitrogen heterocycles with several basic centers, the correlation of the parameters of the NMR spectra with the direction (regioselectivity) and multiplicity of protonation of these compounds in CF3COOH-CD2Cl2, TfOH-CD2Cl2, and FSO3H-SbF(5)acid systems was studied. The established dependence of the spectral characteristics on the value of the introduced positive charge will be useful in studying the reactivity of similar heterocyclic systems in the presence of acidic agents.
AB - By the example of 4-dimethylaminopyridine and some of its derivatives taken as model nitrogen heterocycles with several basic centers, the correlation of the parameters of the NMR spectra with the direction (regioselectivity) and multiplicity of protonation of these compounds in CF3COOH-CD2Cl2, TfOH-CD2Cl2, and FSO3H-SbF(5)acid systems was studied. The established dependence of the spectral characteristics on the value of the introduced positive charge will be useful in studying the reactivity of similar heterocyclic systems in the presence of acidic agents.
KW - DMAP
KW - N-protonation
KW - NMR
KW - quantum-chemical calculations
KW - simulation of NMR spectra
KW - super acids
KW - CHEMICAL-SHIFTS
KW - SPECTRA
KW - COUPLING-CONSTANTS
KW - CONVENTIONS
UR - http://www.scopus.com/inward/record.url?scp=85089738662&partnerID=8YFLogxK
U2 - 10.1007/s10593-020-02749-7
DO - 10.1007/s10593-020-02749-7
M3 - Article
AN - SCOPUS:85089738662
VL - 56
SP - 892
EP - 897
JO - Chemistry of Heterocyclic Compounds
JF - Chemistry of Heterocyclic Compounds
SN - 0009-3122
IS - 7
ER -
ID: 25297174