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A study of substituent effects on the NH bond in alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones

Korelaciona analiza IR i 1H-NMR spektralnih podataka za NH vezu u alkil i aril 4,6-disupstituisanim 3-cijano-2-piridonima

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Authors
Misić-Vuković, Milica
Jovanović, Slobodanka
Mijin, Dušan
Csanadi, Janos
Đoković, Dejan
Article (Published version)
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Abstract
Substituent effects on the IR stretching frequencies and 1H-NMR chemical shifts of the pyridone NH group in 4- and 6-disubstituted alkyl and aryl 3-cyano- 2-pyridones were investigated. The bands most sensitive to substituent effects from the broad and multiple IR NH band for each compound were selected by a computer calculation. The selected values of the IR frequencies and the determined 1H-NMR chemical shifts were subjected to LFER analysis, by correlations with the Hamett σm/p and Swain-Lupton F and R substituent constants.
U radu je razmatran uticaj supstituenata na IR frekvencije i 1H-NMR hemijska pomeranja za piridonsku NH grupu u 4- i 6-disupstituisanim alkil i aril 3-cijano-2-piridonima korišćenjem principa linearne korelacije slobodne energije. Za izračunavanja su primenjene Hametove σm/p konstante kao i Swain-Lupton konstante supstituenata F i R. Razvijen je kompjuterski metod za izbor IR NH traka najosetljivijih na uticaj supstituenata.
Keywords:
substituted 2-pyridones / LFER analysis / NH bond / IR and 1H-NMR spectra
Source:
Journal of the Serbian Chemical Society, 2007, 72, 12, 1229-1236
Publisher:
  • Serbian Chemical Society, Belgrade

ISSN: 0352-5139

WoS: 000252412100007

Scopus: 2-s2.0-36949040386
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URI
http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1112
Collections
  • Radovi istraživača / Researchers’ publications (TMF)
Institution/Community
Tehnološko-metalurški fakultet
TY  - JOUR
AU  - Misić-Vuković, Milica
AU  - Jovanović, Slobodanka
AU  - Mijin, Dušan
AU  - Csanadi, Janos
AU  - Đoković, Dejan
PY  - 2007
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1112
AB  - Substituent effects on the IR stretching frequencies and 1H-NMR chemical shifts of the pyridone NH group in 4- and 6-disubstituted alkyl and aryl 3-cyano- 2-pyridones were investigated. The bands most sensitive to substituent effects from the broad and multiple IR NH band for each compound were selected by a computer calculation. The selected values of the IR frequencies and the determined 1H-NMR chemical shifts were subjected to LFER analysis, by correlations with the Hamett σm/p and Swain-Lupton F and R substituent constants.
AB  - U radu je razmatran uticaj supstituenata na IR frekvencije i 1H-NMR hemijska pomeranja za piridonsku NH grupu u 4- i 6-disupstituisanim alkil i aril 3-cijano-2-piridonima korišćenjem principa linearne korelacije slobodne energije. Za izračunavanja su primenjene Hametove σm/p konstante kao i Swain-Lupton konstante supstituenata F i R. Razvijen je kompjuterski metod za izbor IR NH traka najosetljivijih na uticaj supstituenata.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - A study of substituent effects on the NH bond in alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones
T1  - Korelaciona analiza IR i 1H-NMR spektralnih podataka za NH vezu u alkil i aril 4,6-disupstituisanim 3-cijano-2-piridonima
EP  - 1236
IS  - 12
SP  - 1229
VL  - 72
UR  - conv_627
ER  - 
@article{
author = "Misić-Vuković, Milica and Jovanović, Slobodanka and Mijin, Dušan and Csanadi, Janos and Đoković, Dejan",
year = "2007",
abstract = "Substituent effects on the IR stretching frequencies and 1H-NMR chemical shifts of the pyridone NH group in 4- and 6-disubstituted alkyl and aryl 3-cyano- 2-pyridones were investigated. The bands most sensitive to substituent effects from the broad and multiple IR NH band for each compound were selected by a computer calculation. The selected values of the IR frequencies and the determined 1H-NMR chemical shifts were subjected to LFER analysis, by correlations with the Hamett σm/p and Swain-Lupton F and R substituent constants., U radu je razmatran uticaj supstituenata na IR frekvencije i 1H-NMR hemijska pomeranja za piridonsku NH grupu u 4- i 6-disupstituisanim alkil i aril 3-cijano-2-piridonima korišćenjem principa linearne korelacije slobodne energije. Za izračunavanja su primenjene Hametove σm/p konstante kao i Swain-Lupton konstante supstituenata F i R. Razvijen je kompjuterski metod za izbor IR NH traka najosetljivijih na uticaj supstituenata.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "A study of substituent effects on the NH bond in alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones, Korelaciona analiza IR i 1H-NMR spektralnih podataka za NH vezu u alkil i aril 4,6-disupstituisanim 3-cijano-2-piridonima",
pages = "1236-1229",
number = "12",
volume = "72",
url = "conv_627"
}
Misić-Vuković, M., Jovanović, S., Mijin, D., Csanadi, J.,& Đoković, D.. (2007). A study of substituent effects on the NH bond in alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 72(12), 1229-1236.
conv_627
Misić-Vuković M, Jovanović S, Mijin D, Csanadi J, Đoković D. A study of substituent effects on the NH bond in alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones. in Journal of the Serbian Chemical Society. 2007;72(12):1229-1236.
conv_627 .
Misić-Vuković, Milica, Jovanović, Slobodanka, Mijin, Dušan, Csanadi, Janos, Đoković, Dejan, "A study of substituent effects on the NH bond in alkyl and aryl 4,6-disubstituted-3-cyano-2-pyridones" in Journal of the Serbian Chemical Society, 72, no. 12 (2007):1229-1236,
conv_627 .

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