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
Autori
Marinković, AleksandarValentić, Nataša
Mijin, Dušan
Ušćumlić, Gordana
Jovanović, Bratislav Ž.
Članak u časopisu (Objavljena verzija)
Metapodaci
Prikaz svih podataka o dokumentuApstrakt
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.
Ključne reči:
13C-NMR substituent chemical shifts / linear free energy relationships / N(1)-(4-substituted phenyl)-3-cyano-4,6-dimethyl-2-pyridonesIzvor:
Journal of the Serbian Chemical Society, 2008, 73, 5, 513-524Izdavač:
- Serbian Chemical Society, Belgrade
Institucija/grupa
Tehnološko-metalurški fakultetTY - 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 - https://hdl.handle.net/21.15107/rcub_technorep_1348 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 = "https://hdl.handle.net/21.15107/rcub_technorep_1348" }
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. https://hdl.handle.net/21.15107/rcub_technorep_1348
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. https://hdl.handle.net/21.15107/rcub_technorep_1348 .
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, https://hdl.handle.net/21.15107/rcub_technorep_1348 .