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13C- and 1H-NMR substituent-induced chemical shifts in N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones

Supstituentima izazvana 13C- i 1H-NMR hemijska pomeranja N(1)-(4-supstituisani fenil)-3-cijano-4,6-dimetil-2-piridona

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Authors
Marinković, Aleksandar
Valentić, Nataša
Mijin, Dušan
Ušćumlić, Gordana
Jovanović, Bratislav Ž.
Article (Published version)
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Abstract
The 13C- and 1H-NMR chemical shifts of thirteen N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones were measured in deuterated dimethyl sulfoxide (DMSO-d6). The correlation analysis for the substituent-induced chemical shifts (SCS) with σp, inductive (σI) and different scale of resonance (σR) parameters were performed using the SSP (single substituent parameter), DSP (dual substituent parameter) and DSP-NLR (dual substituent parameter-non-linear resonance) methods. The results of the calculations concerning the polar and resonance effects satisfactorily describe the substituent effects at the carbon atoms of interest. The mode of transmission of the substituent effects, both inductive and resonance, in relation to the geometry of the investigated pyridones is discussed.
13C- i 1H-NMR hemijska pomeranja trinaest N(1)-(4-supstituisani fenil)-3-cijano- -4,6-dimetil-2-piridona su određena u deuterisanom dimetilsulfoksidu (DMSO-d6). Korelaciona analiza hemijskih pomeranja pojedinih ugljenikovih atoma ispitivanih jedinjenja izazvana prisutnim supstituentima (SCS) sa σp, induktivnim (σI) i različitim rezonancionim (σR) konstantama je izvršena korišćenjem SSP (monoparametarska), DSP (dvoparametarska) i DSP-NLR (dvoparametarska nelinearna) metoda. Rezultati korelacionih analiza na zadovoljavajući način opisuju efekte supstituenata za posmatrane ugljenikove atome. Diskutovan je način prenošenja efekata supstituenata, induktivnih i rezonancionih, u odnosu na geometriju ispitivanih molekula.
Keywords:
13C-NMR substituent chemical shifts / linear free energy relationships / N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones
Source:
Journal of the Serbian Chemical Society, 2008, 73, 5, 513-524
Publisher:
  • Serbian Chemical Society, Belgrade

ISSN: 0352-5139

WoS: 000256267900001

Scopus: 2-s2.0-44349123008
[ Google Scholar ]
4
4
URI
http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1348
Collections
  • Radovi istraživača / Researchers’ publications (TMF)
Institution/Community
Tehnološko-metalurški fakultet
TY  - JOUR
AU  - Marinković, Aleksandar
AU  - Valentić, Nataša
AU  - Mijin, Dušan
AU  - Ušćumlić, Gordana
AU  - Jovanović, Bratislav Ž.
PY  - 2008
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1348
AB  - The 13C- and 1H-NMR chemical shifts of thirteen N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones were measured in deuterated dimethyl sulfoxide (DMSO-d6). The correlation analysis for the substituent-induced chemical shifts (SCS) with σp, inductive (σI) and different scale of resonance (σR) parameters were performed using the SSP (single substituent parameter), DSP (dual substituent parameter) and DSP-NLR (dual substituent parameter-non-linear resonance) methods. The results of the calculations concerning the polar and resonance effects satisfactorily describe the substituent effects at the carbon atoms of interest. The mode of transmission of the substituent effects, both inductive and resonance, in relation to the geometry of the investigated pyridones is discussed.
AB  - 13C- i 1H-NMR hemijska pomeranja trinaest N(1)-(4-supstituisani fenil)-3-cijano- -4,6-dimetil-2-piridona su određena u deuterisanom dimetilsulfoksidu (DMSO-d6). Korelaciona analiza hemijskih pomeranja pojedinih ugljenikovih atoma ispitivanih jedinjenja izazvana prisutnim supstituentima (SCS) sa σp, induktivnim (σI) i različitim rezonancionim (σR) konstantama je izvršena korišćenjem SSP (monoparametarska), DSP (dvoparametarska) i DSP-NLR (dvoparametarska nelinearna) metoda. Rezultati korelacionih analiza na zadovoljavajući način opisuju efekte supstituenata za posmatrane ugljenikove atome. Diskutovan je način prenošenja efekata supstituenata, induktivnih i rezonancionih, u odnosu na geometriju ispitivanih molekula.
PB  - Serbian Chemical Society, Belgrade
T2  - Journal of the Serbian Chemical Society
T1  - 13C- and 1H-NMR substituent-induced chemical shifts in N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones
T1  - Supstituentima izazvana 13C- i 1H-NMR hemijska pomeranja N(1)-(4-supstituisani fenil)-3-cijano-4,6-dimetil-2-piridona
EP  - 524
IS  - 5
SP  - 513
VL  - 73
UR  - conv_641
ER  - 
@article{
author = "Marinković, Aleksandar and Valentić, Nataša and Mijin, Dušan and Ušćumlić, Gordana and Jovanović, Bratislav Ž.",
year = "2008",
abstract = "The 13C- and 1H-NMR chemical shifts of thirteen N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones were measured in deuterated dimethyl sulfoxide (DMSO-d6). The correlation analysis for the substituent-induced chemical shifts (SCS) with σp, inductive (σI) and different scale of resonance (σR) parameters were performed using the SSP (single substituent parameter), DSP (dual substituent parameter) and DSP-NLR (dual substituent parameter-non-linear resonance) methods. The results of the calculations concerning the polar and resonance effects satisfactorily describe the substituent effects at the carbon atoms of interest. The mode of transmission of the substituent effects, both inductive and resonance, in relation to the geometry of the investigated pyridones is discussed., 13C- i 1H-NMR hemijska pomeranja trinaest N(1)-(4-supstituisani fenil)-3-cijano- -4,6-dimetil-2-piridona su određena u deuterisanom dimetilsulfoksidu (DMSO-d6). Korelaciona analiza hemijskih pomeranja pojedinih ugljenikovih atoma ispitivanih jedinjenja izazvana prisutnim supstituentima (SCS) sa σp, induktivnim (σI) i različitim rezonancionim (σR) konstantama je izvršena korišćenjem SSP (monoparametarska), DSP (dvoparametarska) i DSP-NLR (dvoparametarska nelinearna) metoda. Rezultati korelacionih analiza na zadovoljavajući način opisuju efekte supstituenata za posmatrane ugljenikove atome. Diskutovan je način prenošenja efekata supstituenata, induktivnih i rezonancionih, u odnosu na geometriju ispitivanih molekula.",
publisher = "Serbian Chemical Society, Belgrade",
journal = "Journal of the Serbian Chemical Society",
title = "13C- and 1H-NMR substituent-induced chemical shifts in N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones, Supstituentima izazvana 13C- i 1H-NMR hemijska pomeranja N(1)-(4-supstituisani fenil)-3-cijano-4,6-dimetil-2-piridona",
pages = "524-513",
number = "5",
volume = "73",
url = "conv_641"
}
Marinković, A., Valentić, N., Mijin, D., Ušćumlić, G.,& Jovanović, B. Ž.. (2008). 13C- and 1H-NMR substituent-induced chemical shifts in N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones. in Journal of the Serbian Chemical Society
Serbian Chemical Society, Belgrade., 73(5), 513-524.
conv_641
Marinković A, Valentić N, Mijin D, Ušćumlić G, Jovanović BŽ. 13C- and 1H-NMR substituent-induced chemical shifts in N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones. in Journal of the Serbian Chemical Society. 2008;73(5):513-524.
conv_641 .
Marinković, Aleksandar, Valentić, Nataša, Mijin, Dušan, Ušćumlić, Gordana, Jovanović, Bratislav Ž., "13C- and 1H-NMR substituent-induced chemical shifts in N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridones" in Journal of the Serbian Chemical Society, 73, no. 5 (2008):513-524,
conv_641 .

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