Collect. Czech. Chem. Commun. 1990, 55, 2880-2888
https://doi.org/10.1135/cccc19902880

Electrostatic effects in ionization equilibria: An MNDO study of proton and hydrogen transfer reactions of 4-fluorobutanol

Zdeněk Friedla and Stanislav Böhmb

a Department of Organic Chemistry, Slovak Technical University, 812 37 Bratislava
b Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6

Individual author index pages


Other CCCC articles of these authors

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    Revision of the Dual-Substituent-Parameter Treatment; Reaction Series with a Donor Reaction Centre
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    2007, Vol. 72, Issue 3, pp. 347–362 [Abstract]
  • Otto Exner* and Stanislav Böhm
    Analysis of the Ortho Effect: Basicity of 2-Substituted Benzonitriles
    2006, Vol. 71, Issue 8, pp. 1239–1255 [Abstract]
  • Stanislav Böhm and Otto Exner*
    Estimation of Resonance Energy from Forced Nonplanar Conformations of Conjugated Molecules
    2005, Vol. 70, Issue 10, pp. 1577–1588 [Abstract]
  • Stanislav Böhm and Otto Exner*
    Interaction of Polar Groups with a Bulky Hydrocarbon Residue: Polarizability and Steric Effects
    2005, Vol. 70, Issue 3, pp. 370–382 [Abstract]
  • Stanislav Böhm and Otto Exner*
    Attenuation of the Substituent Effects Along the Aliphatic Chain
    2004, Vol. 69, Issue 5, pp. 984–995 [Abstract]
  • Juraj Bernát, Eva Balentová, Pavol Kristian*, Ján Imrich, Erik Sedlák, Ivan Danihel, Stanislav Böhm, Naďa Prónayová, Kalevi Pihlaja and Karel D. Klika
    Methylation of Acridin-9-ylthioureas. Structure, Fluorescence and Biological Properties of Products
    2004, Vol. 69, Issue 4, pp. 833–849 [Abstract]
  • Jan Čejka, Bohumil Kratochvíl, Stanislav Böhm, Ivana Císařová, Ladislav Cvak and Alexandr Jegorov*
    Structural Study of Dopamine Agonist Lisuride
    2003, Vol. 68, Issue 11, pp. 2150–2158 [Abstract]
  • Michal Hušák, Bohumil Kratochvíl, Ivana Císařová, Ladislav Cvak, Alexandr Jegorov* and Stanislav Böhm
    Crystal Forms of Semisynthetic Ergot Alkaloid Terguride
    2002, Vol. 67, Issue 4, pp. 479–489 [Abstract]
  • Otto Exner and Stanislav Böhm*
    Resonance Energy in Benzene Derivatives with a Variable Functional Group
    2001, Vol. 66, Issue 11, pp. 1623–1637 [Abstract]
  • Radek Pohl, Jan Sýkora, Petr Maloň, Stanislav Böhm*, Bohumil Kratochvíl and Josef Kuthan
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    2000, Vol. 65, Issue 10, pp. 1643–1652 [Abstract]
  • Daniel Alexander, Stanislav Böhm, Ivana Císařová, Petr Holý, Jaroslav Podlaha, Miroslav Šlouf and Jiří Závada*
    Sterically Crowded Hexaalkyl Benzene-1,2,3,4,5,6-hexakis[α-(alkoxycarbonyl)propanoates]. Synthesis and Conformation Analysis
    2000, Vol. 65, Issue 5, pp. 673–694 [Abstract]
  • Robert Klvaňa, Radek Pohl, Jan Pawlas, Jan Čejka, Hana Dvořáková, Richard Hrabal, Stanislav Böhm*, Bohumil Kratochvíl and Josef Kuthan
    Sterically Crowded Heterocycles. XII. Atropisomerism of (1-Aryl-3,5-diphenyl-1H-pyrrol-2-yl)(phenyl)methanones
    2000, Vol. 65, Issue 5, pp. 651–666 [Abstract]
  • Ivana Císařová, Jaroslav Podlaha, Stanislav Böhm and Otto Exner*
    Steric Effects and Steric Inhibition of Resonance in Benzene Derivatives: 2,3-Dimethylbenzoic Acid
    2000, Vol. 65, Issue 2, pp. 216–226 [Abstract]
  • Stanislav Böhm*, Radek Pohl and Josef Kuthan
    Sterically Crowded Heterocycles. XI. A Semiempirical Prediction of Enantiomerization Barriers for Substituted (Z)-3-(Imidazo[1,2-a]pyridin-3-yl)-1-phenylprop-2-en-1-ones
    1999, Vol. 64, Issue 11, pp. 1761–1769 [Abstract]
  • Miroslav Holík*, Zdeněk Friedl, Karel Waisser and Jiří Gregor
    Multivariate Regression with Substituent Shift Increments. IV. 2-(4-X-Phenyl)-1,3-dihydro-2H-isoindole-1,3-diones and 3-(4-X-Phenyl)-3,4-dihydro-2H-1,3-benzoxazine-2,4-diones
    1999, Vol. 64, Issue 10, pp. 1709–1726 [Abstract]
  • Miroslav Holík*, Zdeněk Friedl and Štefan Marchalín
    Multivariate Regression with Substituent Shift Increments. III. 2,5-Disubstituted Furans
    1999, Vol. 64, Issue 10, pp. 1696–1708 [Abstract]
  • Radek Pohl, Stanislav Böhm and Josef Kuthan*
    Sterically Crowded Heterocycles. X. A New Mechanistic Approach to the Ferricyanide Oxidation of 4,6'-Disubstituted 1-(Pyridin-2'-yl)-2,6-diphenylpyridinium Salts
    1999, Vol. 64, Issue 8, pp. 1274–1294 [Abstract]
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    1998, Vol. 63, Issue 3, pp. 387–393 [Abstract]
  • Stanislav Böhm, Tomáš Strnad, Iveta Ruppertová and Josef Kuthan
    Sterically Crowded Heterocycles. IX. New α,β-Unsaturated Ketones Containing Imidazo[1,2-a]quinoline, Imidazo[2,1-a]isoquinoline, Benzo[h]imidazo[1,2-a]quinoline and Imidazo[1,2-a]-1,10-phenanthroline Moieties
    1997, Vol. 62, Issue 10, pp. 1599–1611 [Abstract]
  • Ivan Danihel, Gejza Suchár, Pavol Kristian and Stanislav Böhm
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    1996, Vol. 61, Issue 11, pp. 1615–1619 [Abstract]
  • Richard Kubík, Stanislav Böhm, Jan Čejka, Vladimír Havlíček, Tomáš Strnad, Bohumil Kratochvíl and Josef Kuthan
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    1996, Vol. 61, Issue 10, pp. 1473–1488 [Abstract]
  • Richard Kubík, Stanislav Böhm and Josef Kuthan
    Sterically Crowded Heterocycles. VII. Reduction of Some (Z)-1,3-Diphenyl-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)prop-2-en-1-ones as Their Axial Chirality Probe
    1996, Vol. 61, Issue 7, pp. 1018–1026 [Abstract]
  • Stanislav Böhm, Iveta Ruppertová, Vladimír Havlíček and Josef Kuthan
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    1996, Vol. 61, Issue 4, pp. 597–604 [Abstract]
  • Richard Kubík, Stanislav Böhm, Iveta Ruppertová and Josef Kuthan
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    1996, Vol. 61, Issue 1, pp. 126–138 [Abstract]
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    1995, Vol. 60, Issue 10, pp. 1621–1633 [Abstract]
  • Stanislav Böhm, Richard Kubík, Martin Hradilek, Jan Němeček, Michal Hušák, Bohumil Kratochvíl and Josef Kuthan
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    1995, Vol. 60, Issue 1, pp. 115–126 [Abstract]
  • Stanislav Böhm, Richard Kubík, Martin Hradilek, Jan Němeček, Michal Hušák, Svetlana Pakhomova, Jan Ondráček, Bohumil Kratochvíl and Josef Kuthan
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    1994, Vol. 59, Issue 12, pp. 2677–2690 [Abstract]
  • Zdeněk Friedl and Stanislav Böhm
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    1994, Vol. 59, Issue 7, pp. 1467–1471 [Abstract]
  • Stanislav Böhm, Pavel Šebek, Stanislav Nešpůrek and Josef Kuthan
    Photocolouration of 2,4,4,6-Tetraaryl-4H-thiopyrans: A Semiempirical Quantum Chemical Study
    1994, Vol. 59, Issue 5, pp. 1115–1125 [Abstract]
  • Stanislav Böhm, Michal Hocek, Jan Němeček, Vladimír Havlíček and Josef Kuthan
    Preparation and Spectroscopic Properties of Spirocyclic 1-Methyl-2,4,4,6-tetraaryl-1,4-dihydropyridines
    1994, Vol. 59, Issue 5, pp. 1105–1114 [Abstract]
  • Stanislav Böhm, Michal Hocek, Stanislav Nešpůrek and Josef Kuthan
    Photocolouration of 2,4,4,6-Tetraaryl-1,4-dihydropyridines: A Semiempirical Quantum Chemical Study
    1994, Vol. 59, Issue 2, pp. 262–272 [Abstract]
  • Pavel Šebek, Petr Sedmera, Stanislav Böhm and Josef Kuthan
    Sigmatropic Isomerization of Tetraphenylcyclopentadienes: Reaction Mechanism and Quantum Chemical Treatment
    1993, Vol. 58, Issue 4, pp. 882–892 [Abstract]
  • Stanislav Böhm, Richard Kubík, Jan Němeček and Josef Kuthan
    Oxidative and Basic Transformations of Some 1-Heteroaryloligophenylpyridinium Salts. Limitations to the Applicability of Ferricyanide Oxidation
    1992, Vol. 57, Issue 8, pp. 1672–1683 [Abstract]
  • Stanislav Böhm, Richard Kubík, Jiří Novotný, Jan Ondráček, Bohumil Kratochvíl and Josef Kuthan
    Reinvestigation of heterocyclic structures: Oxidation products from 1-substituted 2,4,6-triphenylpyridinium salts
    1991, Vol. 56, Issue 11, pp. 2326–2339 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    Quantum chemical prediction of 2H-pyran vibration spectrum
    1990, Vol. 55, Issue 1, pp. 10–20 [Abstract]
  • Zdeněk Friedl and Stanislav Böhm
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    1990, Vol. 55, Issue 1, pp. 1–9 [Abstract]
  • Jiří Krechl, Stanislav Böhm and Josef Kuthan
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    1989, Vol. 54, Issue 5, pp. 1203–1208 [Abstract]
  • Jiří Krechl, Stanislav Böhm, Svatava Smrčková and Josef Kuthan
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    1989, Vol. 54, Issue 3, pp. 673–683 [Abstract]
  • Adolf Jurášek, Daniela Berecinová, Miroslav Čakrt, Miloslava Dandárová, Zdeněk Friedl, Jarmila Štetinová and Jaroslav Kováč
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    1989, Vol. 54, Issue 1, pp. 215–224 [Abstract]
  • Stanislav Böhm, Hanuš Slavík and Josef Kuthan
    Ferricyanide oxidation of 1-substituted pentaphenylpyridinium salts. A novel route to 1-substituted 2,3,4,5-tetraphenylpyrroles
    1989, Vol. 54, Issue 1, pp. 200–205 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    A contribution to gas phase ionization of para-hydroxybenzoic acid: An LCAO-MO-SCF treatment
    1988, Vol. 53, Issue 4, pp. 665–670 [Abstract]
  • Ivan Danihel, Pavol Kristian, Stanislav Böhm and Josef Kuthan
    A study of structure of meta and para substituted phenyl and benzoyl isothiocyanates by the MNDO method
    1987, Vol. 52, Issue 9, pp. 2115–2124 [Abstract]
  • Stanislav Böhm, Renata Prantová, David Šaman, Petr Trška and Josef Kuthan
    Reaction of some nucleophiles with 2,6-di-tert-butylpyrylium perchlorate
    1987, Vol. 52, Issue 5, pp. 1305–1314 [Abstract]
  • Zdeněk Friedl, Stanislav Böhm, Igor Goljer, Anna Piklerová, Daniela Poórová, Anna Ríčková and Jaroslav Kováč
    Polar effects on 13C NMR chemical shifts and rotational barriers of amides. A dual substituent parameters analysis of N,N-dimethyl-3-(5-substituted-2-furyl)-acrylamides
    1987, Vol. 52, Issue 2, pp. 409–424 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    MO study of 2,2,4-trimethyl-2H-pyran, the simplest stable 2H-pyran derivative
    1987, Vol. 52, Issue 2, pp. 399–408 [Abstract]
  • Štefan Marchalín, Václav Jehlička, Stanislav Böhm, Petr Trška and Josef Kuthan
    Molecular structure of para-substituted 3-aryl-2-arylmethylene-3-oxopropanenitriles in solution phase
    1985, Vol. 50, Issue 9, pp. 1935–1947 [Abstract]
  • Zdeněk Friedl, Pavel Fiedler, Ján Biroš, Věra Uchytilová, Igor Tvaroška, Stanislav Böhm and Otto Exner
    Electrostatic effects on conformational equilibria: Solvation enthalpies and the reaction field theory
    1984, Vol. 49, Issue 9, pp. 2050–2069 [Abstract]
  • Karel Kalfus, Zdeněk Friedl and Otto Exner
    Electrostatic effects on ionization equilibria: Solvent dependence
    1984, Vol. 49, Issue 1, pp. 179–189 [Abstract]
  • Otto Exner, Zdeněk Friedl and Pavel Fiedler
    Electrostatic effects on conformational equilibria: Alkyl 2-cyanobenzoates and 3-cyanopropenoates
    1983, Vol. 48, Issue 11, pp. 3086–3096 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    An ab initio MO study of conformation structure of nicotinamide and its derivatives
    1983, Vol. 48, Issue 7, pp. 1842–1853 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    Optimization of molecular geometry of meta-substituted benzoic acids and their anions by gradient CNDO/2 method
    1983, Vol. 48, Issue 4, pp. 1019–1029 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    MO study of molecular and electronic structure of 2,2-dimethyl-2H-pyran and its acyclic valence isomers
    1983, Vol. 48, Issue 4, pp. 1007–1018 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    Optimization of molecular geometry of para-substituted benzoic acids and their anions by means of gradient CNDO/2 method
    1982, Vol. 47, Issue 12, pp. 3393–3404 [Abstract]
  • Jiří Krechl, Stanislav Böhm and Josef Kuthan
    Quantum-chemical MO study of protonation of 1-methyl-1,4-dihydronicotinamide
    1982, Vol. 47, Issue 11, pp. 3044–3054 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    ab initio MO-SCF study of prototropic transformations of non-substituted dihydropyridines
    1982, Vol. 47, Issue 10, pp. 2735–2745 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    Comparison of non-empirical and semiempirical SCF MO calculations of non-substituted dihydropyridines
    1981, Vol. 46, Issue 9, pp. 2068–2075 [Abstract]
  • Josef Kuthan and Stanislav Böhm
    MO study of molecular and electronic structure of 2H and 4H-pyrans
    1981, Vol. 46, Issue 3, pp. 759–771 [Abstract]
  • Josef Kuthan, Stanislav Böhm and Jiří Mostecký
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    1980, Vol. 45, Issue 8, pp. 2179–2186 [Abstract]
  • Zdeněk Friedl, Pavel Fiedler and Otto Exner
    Electrostatic effects on conformational equilibria. Solvent dependence
    1980, Vol. 45, Issue 5, pp. 1351–1360 [Abstract]
  • Zdeněk Friedl, Jaroslav Hapala and Otto Exner
    Electrostatic effects on ionization equilibria. 3-Substituted bicyclo[2,2,2]octane-1-carboxylic acids
    1979, Vol. 44, Issue 10, pp. 2928–2945 [Abstract]
  • Josef Kuthan, Stanislav Böhm and Vratislav Skála
    On applicability of EHT method for study of interactions of pyridinium ions with anions. Calculations of pyridine hydrochloride
    1979, Vol. 44, Issue 1, pp. 99–109 [Abstract]
  • Otto Exner and Zdeněk Friedl
    Electrostatic effects on ionization equilibria. Carboxylic acids and amines derived from 1-indanone
    1978, Vol. 43, Issue 12, pp. 3227–3240 [Abstract]
  • Josef Kuthan, Vratislav Skála and Stanislav Böhm
    EHT-study of 1-methylpyridinium fluoride and tetrafluoroborate
    1978, Vol. 43, Issue 11, pp. 3071–3078 [Abstract]
  • Josef Kuthan, Vratislav Skála and Stanislav Böhm
    EHT demonstration of ionic structure of 1-methyl-3-carbamoylpyridinium fluoride and tetrafluoroborate
    1978, Vol. 43, Issue 11, pp. 3056–3063 [Abstract]
  • Zdeněk Friedl and Otto Exner
    Electrostatic effects on conformational equilibria 3-substituted benzonitriles
    1978, Vol. 43, Issue 10, pp. 2591–2599 [Abstract]
  • Vratislav Skála, Stanislav Böhm, Jaroslav Paleček and Josef Kuthan
    Electronic and mass spectra of 2,6-disubstituted phenyl and 2-styryl derivatives of 3,5-dicyanopyridines and their 1,4-dihydroanalogues
    1978, Vol. 43, Issue 2, pp. 434–446 [Abstract]