TY  - JOUR
AU  - Marinković, Aleksandar
AU  - Jovanović, Bratislav Ž.
AU  - Assaleh, Fathi H.
AU  - Vajs, Vlatka
AU  - Juranić, Milan I.
PY  - 2012
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2194
AB  - Linear free energy relationships (LFER) were applied to the kinetic data and C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids. The correlation analysis for the kinetic data and substituent-induced chemical shifts (SCS) with sigma using single substituent parameter (SSP), as well as inductive (sigma(I)) and various resonance (sigma(R)) parameters using dual-substituent parameter (DSP), were carried out. The presented calculations account satisfactorily for the polar and resonance substituent effects having similar contributions at all carbons studied. Negative rho values were found for several correlations (reverse substituent effect). Exceptionally good Hammett correlation of C-13 NMR chemical shifts of azomethine carbon with electrophilic substituent constants sigma(+) indicates a significant resonance interaction in the aniline part of molecules. The conformations of investigated compounds have been studied by the use of DFT method, and together with C-13 NMR chemical shifts and kinetic data, give a better insight into the influence of such a structure on the transmission of electronic substituent effects. New sigma constants for substituted phenyliminomethyl group have been calculated.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Structure
T1  - Linear free energy relationships applied to the reactivity and the C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids
EP  - 165
SP  - 158
VL  - 1011
DO  - 10.1016/j.molstruc.2010.11.004
ER  - 

@article{
author = "Marinković, Aleksandar and Jovanović, Bratislav Ž. and Assaleh, Fathi H. and Vajs, Vlatka and Juranić, Milan I.",
year = "2012",
abstract = "Linear free energy relationships (LFER) were applied to the kinetic data and C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids. The correlation analysis for the kinetic data and substituent-induced chemical shifts (SCS) with sigma using single substituent parameter (SSP), as well as inductive (sigma(I)) and various resonance (sigma(R)) parameters using dual-substituent parameter (DSP), were carried out. The presented calculations account satisfactorily for the polar and resonance substituent effects having similar contributions at all carbons studied. Negative rho values were found for several correlations (reverse substituent effect). Exceptionally good Hammett correlation of C-13 NMR chemical shifts of azomethine carbon with electrophilic substituent constants sigma(+) indicates a significant resonance interaction in the aniline part of molecules. The conformations of investigated compounds have been studied by the use of DFT method, and together with C-13 NMR chemical shifts and kinetic data, give a better insight into the influence of such a structure on the transmission of electronic substituent effects. New sigma constants for substituted phenyliminomethyl group have been calculated.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Linear free energy relationships applied to the reactivity and the C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids",
pages = "165-158",
volume = "1011",
doi = "10.1016/j.molstruc.2010.11.004"
}

Marinković, A., Jovanović, B. Ž., Assaleh, F. H., Vajs, V.,& Juranić, M. I.. (2012). Linear free energy relationships applied to the reactivity and the C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids. in Journal of Molecular Structure
Elsevier Science Bv, Amsterdam., 1011, 158-165.
https://doi.org/10.1016/j.molstruc.2010.11.004

Marinković A, Jovanović BŽ, Assaleh FH, Vajs V, Juranić MI. Linear free energy relationships applied to the reactivity and the C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids. in Journal of Molecular Structure. 2012;1011:158-165.
doi:10.1016/j.molstruc.2010.11.004 .

Marinković, Aleksandar, Jovanović, Bratislav Ž., Assaleh, Fathi H., Vajs, Vlatka, Juranić, Milan I., "Linear free energy relationships applied to the reactivity and the C-13 NMR chemical shifts in 4-[[(substituted phenyl)imino]methyl]benzoic acids" in Journal of Molecular Structure, 1011 (2012):158-165,
https://doi.org/10.1016/j.molstruc.2010.11.004 . .

TY  - JOUR
AU  - Nikolić, Jasmina
AU  - Ušćumlić, Gordana
AU  - Juranić, Ivan
PY  - 2010
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1618
AB  - The reactivities of 2-(4-substituted phenyl)-cyclohex-1-enecarboxylic acids, 2-(4-substituted phenyl)-benzoic acids, and 2-(4-substituted phenyl)-acrylic acids with diazodiphenylmethane in various solvents were investigated. To explain the kinetic results through solvent effects, the second-order rate constants of the examined acids were correlated using the Kamlet-Taft solvatochromic equation. The correlations of the kinetic data were carried out by means of multiple linear regression analysis, and the solvent effects on the reaction rates were analyzed in terms of initial and transition state contributions. The signs of the equation coefficients support the proposed reaction mechanism. The solvation models for all investigated carboxylic acids are suggested. The quantitative relationship between the molecular structure and the chemical reactivity is discussed, as well as the effect of geometry on the reactivity of the examined molecules.
PB  - Wiley-Blackwell, Malden
T2  - International Journal of Chemical Kinetics
T1  - A Linear Solvation Energy Relationship Study for the Reactivity of 2-(4-Substituted Phenyl)-cyclohex-1-enecarboxylic, 2-(4-Substituted Phenyl)-benzoic, and 2-(4-Substituted Phenyl)-acrylic Acids with Diazodiphenylmethane in Various Solvents
EP  - 439
IS  - 7
SP  - 430
VL  - 42
DO  - 10.1002/kin.20497
ER  - 

@article{
author = "Nikolić, Jasmina and Ušćumlić, Gordana and Juranić, Ivan",
year = "2010",
abstract = "The reactivities of 2-(4-substituted phenyl)-cyclohex-1-enecarboxylic acids, 2-(4-substituted phenyl)-benzoic acids, and 2-(4-substituted phenyl)-acrylic acids with diazodiphenylmethane in various solvents were investigated. To explain the kinetic results through solvent effects, the second-order rate constants of the examined acids were correlated using the Kamlet-Taft solvatochromic equation. The correlations of the kinetic data were carried out by means of multiple linear regression analysis, and the solvent effects on the reaction rates were analyzed in terms of initial and transition state contributions. The signs of the equation coefficients support the proposed reaction mechanism. The solvation models for all investigated carboxylic acids are suggested. The quantitative relationship between the molecular structure and the chemical reactivity is discussed, as well as the effect of geometry on the reactivity of the examined molecules.",
publisher = "Wiley-Blackwell, Malden",
journal = "International Journal of Chemical Kinetics",
title = "A Linear Solvation Energy Relationship Study for the Reactivity of 2-(4-Substituted Phenyl)-cyclohex-1-enecarboxylic, 2-(4-Substituted Phenyl)-benzoic, and 2-(4-Substituted Phenyl)-acrylic Acids with Diazodiphenylmethane in Various Solvents",
pages = "439-430",
number = "7",
volume = "42",
doi = "10.1002/kin.20497"
}

Nikolić, J., Ušćumlić, G.,& Juranić, I.. (2010). A Linear Solvation Energy Relationship Study for the Reactivity of 2-(4-Substituted Phenyl)-cyclohex-1-enecarboxylic, 2-(4-Substituted Phenyl)-benzoic, and 2-(4-Substituted Phenyl)-acrylic Acids with Diazodiphenylmethane in Various Solvents. in International Journal of Chemical Kinetics
Wiley-Blackwell, Malden., 42(7), 430-439.
https://doi.org/10.1002/kin.20497

Nikolić J, Ušćumlić G, Juranić I. A Linear Solvation Energy Relationship Study for the Reactivity of 2-(4-Substituted Phenyl)-cyclohex-1-enecarboxylic, 2-(4-Substituted Phenyl)-benzoic, and 2-(4-Substituted Phenyl)-acrylic Acids with Diazodiphenylmethane in Various Solvents. in International Journal of Chemical Kinetics. 2010;42(7):430-439.
doi:10.1002/kin.20497 .

Nikolić, Jasmina, Ušćumlić, Gordana, Juranić, Ivan, "A Linear Solvation Energy Relationship Study for the Reactivity of 2-(4-Substituted Phenyl)-cyclohex-1-enecarboxylic, 2-(4-Substituted Phenyl)-benzoic, and 2-(4-Substituted Phenyl)-acrylic Acids with Diazodiphenylmethane in Various Solvents" in International Journal of Chemical Kinetics, 42, no. 7 (2010):430-439,
https://doi.org/10.1002/kin.20497 . .

TY  - JOUR
AU  - Kaluđerović, Goran N.
AU  - Vasiljević, Tanja M.
AU  - Laušević, Mila D.
AU  - Gaballa, Akmal S.
AU  - Sabo, Tibor
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/5526
AB  - The electrospray mass spectrometric (ESI-MS) behavior of the complexes trans-dichloro(ethylenediamine-N, N'-di-3-propionato) platinum(IV), trans-dibromo(ethylenediamine-N, N'-di-3-propionato) platinum( IV), dichloro (ethylenediamine-N,N'-di-3-propionic acid) platinum(II), tetrachloro(O,O'-di-n-butyl-ethylenediamine-N,N'-di-3-propanoate) platinum(IV), chlorotribromo(O,O'-di-n-butylethylenediamine-N,N'-di-3-propanoate) platinum(IV), and dichloro(O,O'-di-n-butyl-ethylenediamine-N,N'-di-3-propanoate) platinum( II), with the formulae trans-[PtCl(2) (eddp)] (1), trans-[PtBr(2)(eddp)] (2), [PtCl(2)(H(2)eddp)] (3), [PtCl(4)(Bu(2)eddp)] (4), [PtBr(3)Cl(Bu(2)eddp)] (5), and [PtCl(2)(Bu(2)eddp)]center dot H(2)O (6), is reported. The deprotonated molecular ions or halide adducts are usually observed. ESI-MS data demonstrate the usefulness of the method for efficient characterization of metal complexes in solution.
PB  - Springer Wien, Wien
T2  - Monatshefte Fur Chemie
T1  - Electrospray mass spectrometric studies of a potential antitumor drug and its analogous platinum(II) and platinum(IV) complexes with the ethylenediamine-N,N '-di-3-propanoato ligand and its dibutyl ester
EP  - 557
IS  - 5
SP  - 553
VL  - 140
DO  - 10.1007/s00706-008-0088-0
ER  - 

@article{
author = "Kaluđerović, Goran N. and Vasiljević, Tanja M. and Laušević, Mila D. and Gaballa, Akmal S. and Sabo, Tibor",
year = "2009",
abstract = "The electrospray mass spectrometric (ESI-MS) behavior of the complexes trans-dichloro(ethylenediamine-N, N'-di-3-propionato) platinum(IV), trans-dibromo(ethylenediamine-N, N'-di-3-propionato) platinum( IV), dichloro (ethylenediamine-N,N'-di-3-propionic acid) platinum(II), tetrachloro(O,O'-di-n-butyl-ethylenediamine-N,N'-di-3-propanoate) platinum(IV), chlorotribromo(O,O'-di-n-butylethylenediamine-N,N'-di-3-propanoate) platinum(IV), and dichloro(O,O'-di-n-butyl-ethylenediamine-N,N'-di-3-propanoate) platinum( II), with the formulae trans-[PtCl(2) (eddp)] (1), trans-[PtBr(2)(eddp)] (2), [PtCl(2)(H(2)eddp)] (3), [PtCl(4)(Bu(2)eddp)] (4), [PtBr(3)Cl(Bu(2)eddp)] (5), and [PtCl(2)(Bu(2)eddp)]center dot H(2)O (6), is reported. The deprotonated molecular ions or halide adducts are usually observed. ESI-MS data demonstrate the usefulness of the method for efficient characterization of metal complexes in solution.",
publisher = "Springer Wien, Wien",
journal = "Monatshefte Fur Chemie",
title = "Electrospray mass spectrometric studies of a potential antitumor drug and its analogous platinum(II) and platinum(IV) complexes with the ethylenediamine-N,N '-di-3-propanoato ligand and its dibutyl ester",
pages = "557-553",
number = "5",
volume = "140",
doi = "10.1007/s00706-008-0088-0"
}

Kaluđerović, G. N., Vasiljević, T. M., Laušević, M. D., Gaballa, A. S.,& Sabo, T.. (2009). Electrospray mass spectrometric studies of a potential antitumor drug and its analogous platinum(II) and platinum(IV) complexes with the ethylenediamine-N,N '-di-3-propanoato ligand and its dibutyl ester. in Monatshefte Fur Chemie
Springer Wien, Wien., 140(5), 553-557.
https://doi.org/10.1007/s00706-008-0088-0

Kaluđerović GN, Vasiljević TM, Laušević MD, Gaballa AS, Sabo T. Electrospray mass spectrometric studies of a potential antitumor drug and its analogous platinum(II) and platinum(IV) complexes with the ethylenediamine-N,N '-di-3-propanoato ligand and its dibutyl ester. in Monatshefte Fur Chemie. 2009;140(5):553-557.
doi:10.1007/s00706-008-0088-0 .

Kaluđerović, Goran N., Vasiljević, Tanja M., Laušević, Mila D., Gaballa, Akmal S., Sabo, Tibor, "Electrospray mass spectrometric studies of a potential antitumor drug and its analogous platinum(II) and platinum(IV) complexes with the ethylenediamine-N,N '-di-3-propanoato ligand and its dibutyl ester" in Monatshefte Fur Chemie, 140, no. 5 (2009):553-557,
https://doi.org/10.1007/s00706-008-0088-0 . .

TY  - JOUR
AU  - Nikolić, Jasmina
AU  - Ušćumlić, Gordana
AU  - Juranić, Ivan
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1422
AB  - The rate constants for the reaction of 2-substituted cyclohex-1-eneacetic and 2-substituted phenylacetic acids with diazodiphenylmethane were determined in various aprotic solvents at 30 degrees C. To explain the kinetic results through solvent effects, the second-order rate constants of the examined acids were correlated using the Kamlet-Taft solvatochromic equation. The correlations of the kinetic data were carried out by means of multiple linear regression analysis, and the solvent effects on the reaction rates were analyzed in terms of initial and transition state contributions. The opposite signs of the electrophilic and the nucleophilic parameters are in agreement with the well-known mechanism of the reaction of carboxylic acids with diazodiphenylmethane. The quantitative relationship between the molecular structure and the chemical reactivity is discussed, as well as the effect of the molecular geometry on the reactivity of the examined compounds.
PB  - Wiley, Hoboken
T2  - International Journal of Chemical Kinetics
T1  - A Comparative LSER Study of the Reactivity of 2-Substituted Cyclohex-1-eneacetic and 2-Substituted Phenylacetic Acids with Diazodiphenylmethane in Various Solvents
EP  - 622
IS  - 10
SP  - 613
VL  - 41
DO  - 10.1002/kin.20437
ER  - 

@article{
author = "Nikolić, Jasmina and Ušćumlić, Gordana and Juranić, Ivan",
year = "2009",
abstract = "The rate constants for the reaction of 2-substituted cyclohex-1-eneacetic and 2-substituted phenylacetic acids with diazodiphenylmethane were determined in various aprotic solvents at 30 degrees C. To explain the kinetic results through solvent effects, the second-order rate constants of the examined acids were correlated using the Kamlet-Taft solvatochromic equation. The correlations of the kinetic data were carried out by means of multiple linear regression analysis, and the solvent effects on the reaction rates were analyzed in terms of initial and transition state contributions. The opposite signs of the electrophilic and the nucleophilic parameters are in agreement with the well-known mechanism of the reaction of carboxylic acids with diazodiphenylmethane. The quantitative relationship between the molecular structure and the chemical reactivity is discussed, as well as the effect of the molecular geometry on the reactivity of the examined compounds.",
publisher = "Wiley, Hoboken",
journal = "International Journal of Chemical Kinetics",
title = "A Comparative LSER Study of the Reactivity of 2-Substituted Cyclohex-1-eneacetic and 2-Substituted Phenylacetic Acids with Diazodiphenylmethane in Various Solvents",
pages = "622-613",
number = "10",
volume = "41",
doi = "10.1002/kin.20437"
}

Nikolić, J., Ušćumlić, G.,& Juranić, I.. (2009). A Comparative LSER Study of the Reactivity of 2-Substituted Cyclohex-1-eneacetic and 2-Substituted Phenylacetic Acids with Diazodiphenylmethane in Various Solvents. in International Journal of Chemical Kinetics
Wiley, Hoboken., 41(10), 613-622.
https://doi.org/10.1002/kin.20437

Nikolić J, Ušćumlić G, Juranić I. A Comparative LSER Study of the Reactivity of 2-Substituted Cyclohex-1-eneacetic and 2-Substituted Phenylacetic Acids with Diazodiphenylmethane in Various Solvents. in International Journal of Chemical Kinetics. 2009;41(10):613-622.
doi:10.1002/kin.20437 .

Nikolić, Jasmina, Ušćumlić, Gordana, Juranić, Ivan, "A Comparative LSER Study of the Reactivity of 2-Substituted Cyclohex-1-eneacetic and 2-Substituted Phenylacetic Acids with Diazodiphenylmethane in Various Solvents" in International Journal of Chemical Kinetics, 41, no. 10 (2009):613-622,
https://doi.org/10.1002/kin.20437 . .

TY  - JOUR
AU  - Valentić, Nataša
AU  - Vitnik, Željko
AU  - Mijin, Dušan
AU  - Ušćumlić, Gordana
AU  - Todorović, Nina
AU  - Juranić, Ivan
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1532
AB  - The C-13 NMR chemical shifts of the C2 carbon atom in the heteroaromatic nuclei of seventeen 5-(3- and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones were determined in deuterated DMSO solution. For quantitative assessment of the substituent effects on the C-13 NMR chemical shifts simple and extended Hammett equations and Swain-Lupton equation were used. The mode of transmission of substituent effects have been discussed in a relation to the geometry of investigated molecules. The geometry data were obtained using semiempirical MNDO-PM6 energy calculations. The observed C-13 NMR substituent chemical shifts were correlated with literature C-13 NMR data for the corresponding 3- and 4-substituted- 2',6'-dimethylazobenzenes and 3- and 4-substituted azobenzenes. A good linear dependence obtained in this way, provided a basis to discuss the influence of the ortho-methyl groups on the degree of coplanarity of azobenzene and pyridone systems, and on the efficiency of transmission of electronic substituent effect from one ring to the other one.
PB  - Arkat Usa Inc, Gainesville
T2  - Arkivoc
T1  - Linear Free Energy Relationships of the C-13 NMR chemical shifts in 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones
EP  - 240
SP  - 227
DO  - 10.3998/ark.5550190.0010.d20
ER  - 

@article{
author = "Valentić, Nataša and Vitnik, Željko and Mijin, Dušan and Ušćumlić, Gordana and Todorović, Nina and Juranić, Ivan",
year = "2009",
abstract = "The C-13 NMR chemical shifts of the C2 carbon atom in the heteroaromatic nuclei of seventeen 5-(3- and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones were determined in deuterated DMSO solution. For quantitative assessment of the substituent effects on the C-13 NMR chemical shifts simple and extended Hammett equations and Swain-Lupton equation were used. The mode of transmission of substituent effects have been discussed in a relation to the geometry of investigated molecules. The geometry data were obtained using semiempirical MNDO-PM6 energy calculations. The observed C-13 NMR substituent chemical shifts were correlated with literature C-13 NMR data for the corresponding 3- and 4-substituted- 2',6'-dimethylazobenzenes and 3- and 4-substituted azobenzenes. A good linear dependence obtained in this way, provided a basis to discuss the influence of the ortho-methyl groups on the degree of coplanarity of azobenzene and pyridone systems, and on the efficiency of transmission of electronic substituent effect from one ring to the other one.",
publisher = "Arkat Usa Inc, Gainesville",
journal = "Arkivoc",
title = "Linear Free Energy Relationships of the C-13 NMR chemical shifts in 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones",
pages = "240-227",
doi = "10.3998/ark.5550190.0010.d20"
}

Valentić, N., Vitnik, Ž., Mijin, D., Ušćumlić, G., Todorović, N.,& Juranić, I.. (2009). Linear Free Energy Relationships of the C-13 NMR chemical shifts in 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones. in Arkivoc
Arkat Usa Inc, Gainesville., 227-240.
https://doi.org/10.3998/ark.5550190.0010.d20

Valentić N, Vitnik Ž, Mijin D, Ušćumlić G, Todorović N, Juranić I. Linear Free Energy Relationships of the C-13 NMR chemical shifts in 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones. in Arkivoc. 2009;:227-240.
doi:10.3998/ark.5550190.0010.d20 .

Valentić, Nataša, Vitnik, Željko, Mijin, Dušan, Ušćumlić, Gordana, Todorović, Nina, Juranić, Ivan, "Linear Free Energy Relationships of the C-13 NMR chemical shifts in 5-(3-and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones" in Arkivoc (2009):227-240,
https://doi.org/10.3998/ark.5550190.0010.d20 . .

TY  - JOUR
AU  - Marinković, Aleksandar
AU  - Jovanović, Bratislav Ž.
AU  - Todorović, Nina
AU  - Juranić, Ivan
PY  - 2009
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1480
AB  - Linear free energy relationships (LFER) were applied to the H-1 and C-13 NMR chemical shifts in 3-cyano-4(substituted phenyl)-6-phenyl-2(1H)pyridones. The correlation analysis for the substituent-induced chemical shifts (SCS) with inductive (sigma(1)), and various resonance (sigma(R)) parameters were carried out using SSP (single substituent parameter), DSP (dual substituent parameter), and DSP-NLR (dual substituent parameter non-linear resonance) methods, as well as by multiple regression analysis. The presented calculation accounts satisfactorily for the polar and resonance substituent effects operating at pyridone carbon atoms. Negative rho values were found for several correlations (reverse substituent effect). The conformations of investigated compounds have been studied by the use of semi-empirical MO-PM6 method and B3LYP density functional (DFT) hybrid methods. The twist of the plane of 4-substituted phenyl ring (theta(1)) is determined by electronic substituent effects, while the angles theta(2) are almost constant.
PB  - Elsevier Science Bv, Amsterdam
T2  - Journal of Molecular Structure
T1  - Linear free energy relationships of the H-1 and C-13 NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones
EP  - 96
IS  - 1-3
SP  - 90
VL  - 920
DO  - 10.1016/j.molstruc.2008.10.018
ER  - 

@article{
author = "Marinković, Aleksandar and Jovanović, Bratislav Ž. and Todorović, Nina and Juranić, Ivan",
year = "2009",
abstract = "Linear free energy relationships (LFER) were applied to the H-1 and C-13 NMR chemical shifts in 3-cyano-4(substituted phenyl)-6-phenyl-2(1H)pyridones. The correlation analysis for the substituent-induced chemical shifts (SCS) with inductive (sigma(1)), and various resonance (sigma(R)) parameters were carried out using SSP (single substituent parameter), DSP (dual substituent parameter), and DSP-NLR (dual substituent parameter non-linear resonance) methods, as well as by multiple regression analysis. The presented calculation accounts satisfactorily for the polar and resonance substituent effects operating at pyridone carbon atoms. Negative rho values were found for several correlations (reverse substituent effect). The conformations of investigated compounds have been studied by the use of semi-empirical MO-PM6 method and B3LYP density functional (DFT) hybrid methods. The twist of the plane of 4-substituted phenyl ring (theta(1)) is determined by electronic substituent effects, while the angles theta(2) are almost constant.",
publisher = "Elsevier Science Bv, Amsterdam",
journal = "Journal of Molecular Structure",
title = "Linear free energy relationships of the H-1 and C-13 NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones",
pages = "96-90",
number = "1-3",
volume = "920",
doi = "10.1016/j.molstruc.2008.10.018"
}

Marinković, A., Jovanović, B. Ž., Todorović, N.,& Juranić, I.. (2009). Linear free energy relationships of the H-1 and C-13 NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones. in Journal of Molecular Structure
Elsevier Science Bv, Amsterdam., 920(1-3), 90-96.
https://doi.org/10.1016/j.molstruc.2008.10.018

Marinković A, Jovanović BŽ, Todorović N, Juranić I. Linear free energy relationships of the H-1 and C-13 NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones. in Journal of Molecular Structure. 2009;920(1-3):90-96.
doi:10.1016/j.molstruc.2008.10.018 .

Marinković, Aleksandar, Jovanović, Bratislav Ž., Todorović, Nina, Juranić, Ivan, "Linear free energy relationships of the H-1 and C-13 NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones" in Journal of Molecular Structure, 920, no. 1-3 (2009):90-96,
https://doi.org/10.1016/j.molstruc.2008.10.018 . .

TY  - JOUR
AU  - Nikolić, Jasmina
AU  - Ušćumlić, Gordana
AU  - Juranić, Ivan
PY  - 2007
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/1144
AB  - The rate constants for the reaction of 2-methyl-cyclohex-1-enylcarboxylic, 2-phenylcyclohex-1-enylcarboxylic, and 2-methylbenzoic and 2-phenylbenzoic acids with diazodiphenyl-methane were determined in 14 various solvents at 30 degrees C. To explain the kinetic results through solvent effects, the second-order rate constants of the examined acids were correlated using the Kamlet-Taft solvatochromic equation. The correlations of the kinetic data were carried out by means of multiple linear regression analysis, and the solvent effects on the reaction rates were analyzed in terms of initial and transition state contributions. The quantitative relationship between the molecular structure and the chemical reactivity has been discussed, as well as the effect of geometry on the reactivity of the examined molecules. The geometric data of all the examined compounds corresponding to the energy minima in solvent, simulated as dielectric continuum, obtained using semiempirical MNDO-PM3 energy calculations.
PB  - Wiley, Hoboken
T2  - International Journal of Chemical Kinetics
T1  - Solvent and structural effects on the kinetics of the reactions of 2-substituted cyclohex-1-enylcarboxylic and 2-substituted benzoic acids with diazodiphenyl with diazodiphenylmethane
EP  - 671
IS  - 12
SP  - 664
VL  - 39
DO  - 10.1002/kin.20281
ER  - 

@article{
author = "Nikolić, Jasmina and Ušćumlić, Gordana and Juranić, Ivan",
year = "2007",
abstract = "The rate constants for the reaction of 2-methyl-cyclohex-1-enylcarboxylic, 2-phenylcyclohex-1-enylcarboxylic, and 2-methylbenzoic and 2-phenylbenzoic acids with diazodiphenyl-methane were determined in 14 various solvents at 30 degrees C. To explain the kinetic results through solvent effects, the second-order rate constants of the examined acids were correlated using the Kamlet-Taft solvatochromic equation. The correlations of the kinetic data were carried out by means of multiple linear regression analysis, and the solvent effects on the reaction rates were analyzed in terms of initial and transition state contributions. The quantitative relationship between the molecular structure and the chemical reactivity has been discussed, as well as the effect of geometry on the reactivity of the examined molecules. The geometric data of all the examined compounds corresponding to the energy minima in solvent, simulated as dielectric continuum, obtained using semiempirical MNDO-PM3 energy calculations.",
publisher = "Wiley, Hoboken",
journal = "International Journal of Chemical Kinetics",
title = "Solvent and structural effects on the kinetics of the reactions of 2-substituted cyclohex-1-enylcarboxylic and 2-substituted benzoic acids with diazodiphenyl with diazodiphenylmethane",
pages = "671-664",
number = "12",
volume = "39",
doi = "10.1002/kin.20281"
}

Nikolić, J., Ušćumlić, G.,& Juranić, I.. (2007). Solvent and structural effects on the kinetics of the reactions of 2-substituted cyclohex-1-enylcarboxylic and 2-substituted benzoic acids with diazodiphenyl with diazodiphenylmethane. in International Journal of Chemical Kinetics
Wiley, Hoboken., 39(12), 664-671.
https://doi.org/10.1002/kin.20281

Nikolić J, Ušćumlić G, Juranić I. Solvent and structural effects on the kinetics of the reactions of 2-substituted cyclohex-1-enylcarboxylic and 2-substituted benzoic acids with diazodiphenyl with diazodiphenylmethane. in International Journal of Chemical Kinetics. 2007;39(12):664-671.
doi:10.1002/kin.20281 .

Nikolić, Jasmina, Ušćumlić, Gordana, Juranić, Ivan, "Solvent and structural effects on the kinetics of the reactions of 2-substituted cyclohex-1-enylcarboxylic and 2-substituted benzoic acids with diazodiphenyl with diazodiphenylmethane" in International Journal of Chemical Kinetics, 39, no. 12 (2007):664-671,
https://doi.org/10.1002/kin.20281 . .