Collect. Czech. Chem. Commun. 1981, 46, 883-891
https://doi.org/10.1135/cccc19810883

Semiempirical and ab initio study of the nature of the C-S bond in sulfonium ylides

Vladimír Král, Zdeněk Arnold and Zdeněk Havlas

Institute of Organic Chemistry and Biochemistry, Czechoslovak Academy of Sciences, 166 10 Prague 6

Individual author index pages


Other CCCC articles of these authors

  • Jana Charvátová, Vladimír Král and Václav Kašička
    Separation of amino acids by open tubular capillary electrochromatography in fused silica capillaries with inner surface modified by porphyrins
    Symposium Series 2001, Vol. 4, pp. 109–112 [Abstract]
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  • Jana Charvátová, Václav Kašička, Tomislav Barth, Zdeněk Deyl, Ivan Mikšík and Vladimír Král
    Separation of structurally related peptides by open-tubular capillary electrochromatography using (metallo)porphyrins as the adsorbed stationary phase
    Symposium Series 2003, Vol. 6, pp. 7–11 [Abstract]
    Published online 2016-01-17 20:54:23
  • Sille Ehala, Petr Niederhafner, Václav Čeřovský, Pavel Řezanka, David Sýkora, Vladimír Král and Václav Kašička
    Analysis of antimicrobial peptides by capillary electrophoresis
    Symposium Series 2011, Vol. 13, pp. 37–40 [Abstract]
    Published online 2015-07-15 10:11:55
  • Pavel Zachař, Galina Petkova, David Sýkora and Vladimír Král*
    Selective oxygenation of α-olefins by means of metalloporphyrin catalysts mimicking cytochrome P-450
    2011, Vol. 76, Issue 10, pp. 1163–1175 [Abstract]
  • Martin Havlík, Václav Parchaňský, Petr Bouř, Vladimír Král and Bohumil Dolensky*
    Bridged bis-Tröger’s base molecular tweezers as new cavitand family
    2009, Vol. 74, Issue 7-8, pp. 1091–1099 [Abstract]
  • Tomáš Bříza*, Zdeněk Kejík, Jarmila Králová, Pavel Martásek and Vladimír Král
    Synthesis of unsymmetric cyanine dye via merocyanine and their interaction with DNA
    2009, Vol. 74, Issue 7-8, pp. 1081–1090 [Abstract]
  • Martin Lepšík, Martin Srnec, Drahomír Hnyk, Bohumír Grüner, Jaromír Plešek, Zdeněk Havlas and Lubomír Rulíšek*
    exo-Substituent effects in halogenated icosahedral (B12H122–) and octahedral (B6H62–) closo-borane skeletons: chemical reactivity studied by experimental and quantum chemical methods
    2009, Vol. 74, Issue 1, pp. 1–27 [Abstract]
  • Martin Havlík, Vladimír Král and Bohumil Dolensky*
    Methodology for Easy Access to Large Sidewall Bis-Tröger's Bases
    2007, Vol. 72, Issue 3, pp. 392–402 [Abstract]
  • Martin Valík, Pavel Matějka, Eberhardt Herdtweck, Vladimír Král and Bohumil Dolensky*
    A New Bis-Tröger's Base: Synthesis, Spectroscopy, Crystal Structure and Isomerization
    2006, Vol. 71, Issue 9, pp. 1278–1302 [Abstract]
  • Rudolf Zahradník, Martin Srnec and Zdeněk Havlas*
    Electronic Spectra of Conjugated Polyynes, Cumulenes and Related Systems: A Theoretical Study
    2005, Vol. 70, Issue 5, pp. 559–578 [Abstract]
  • Zuzana Tománková*, Pavel Matějka, Karel Volka and Vladimír Král
    FT Raman Spectroscopy as a Tool for Characterization of Derivatized Silica Gel Sorbents
    2005, Vol. 70, Issue 2, pp. 168–177 [Abstract]
  • Daniel Svozil*, Pavel Jungwirth and Zdeněk Havlas
    Electron Binding to Nucleic Acid Bases. Experimental and Theoretical Studies. A Review
    2004, Vol. 69, Issue 7, pp. 1395–1428 [Abstract]
  • Karel Zelenka, Tomáš Trnka, Iva Tišlerová, Vladimír Král, Mykhaylo Dukh and Pavel Drašar*
    Synthesis of Porphyrin Receptors Modified by Glycosylated Steroids
    2004, Vol. 69, Issue 5, pp. 1149–1160 [Abstract]
  • Vladimír Král*, Petr Vašek and Bohumil Dolensky
    Green Chemistry for Preparation of Oligopyrrole Macrocycles Precursors: Novel Methodology for Dipyrromethanes and Tripyrromethanes Synthesis in Water
    2004, Vol. 69, Issue 5, pp. 1126–1136 [Abstract]
  • Zdeněk Havlas*, Mojmír Kývala and Josef Michl
    Spin-Orbit Coupling in Biradicals. 4. Zero-Field Splitting in Triplet Nitrenes, Phosphinidenes, and Arsinidenes
    2003, Vol. 68, Issue 12, pp. 2335–2343 [Abstract]
  • Martin Valík, Bohumil Dolensky, Hana Petříčková and Vladimír Král*
    Regio- and Stereoselectivity in Preparation of Benzene Bridged Bis- and Tris-Tröger's Bases
    2002, Vol. 67, Issue 5, pp. 609–621 [Abstract]
  • Martin Krondak, Radko Volf and Vladimír Král*
    Novel Systems for Selective Cation Detection: Application of a Lipophilic Carborane Anion in Polymeric Ion-Selective Electrodes
    2001, Vol. 66, Issue 11, pp. 1659–1664 [Abstract]
  • Kamil Záruba, Vladimír Setnička, Jana Charvátová, Oleksandr Rusin, Zuzana Tománková, Jan Hrdlička, David Sýkora and Vladimír Král*
    Analytical Application of Oligopyrrole Macrocycles
    2001, Vol. 66, Issue 5, pp. 693–769 [Abstract]
  • Zdeněk Havlas* and Hans Bock
    Enhanced Long-Range Si···N Interactions in Organosilicon Cations. A Theoretical Study
    2001, Vol. 66, Issue 3, pp. 473–482 [Abstract]
  • Josef Růžička, Ludvík Streinz*, David Šaman, Zdeněk Havlas, Zdeněk Wimmer, Marie Zarevúcka, Bohumír Koutek and Ladislav Lešetický
    Chlorofluoroacetic Acid as a Highly Versatile Derivatizing Agent: Assignment of Stereochemistry to Esters of Chiral Alcohols
    2000, Vol. 65, Issue 5, pp. 695–707 [Abstract]
  • Petr Bouř* and Vladimír Král
    Modelling of DNA Complexes with Distamycin Analogues Using an ab initio Continuum Solvent Model
    2000, Vol. 65, Issue 5, pp. 631–643 [Abstract]
  • Pavel Vlček, Zdeněk Havlas* and Zdeněk Pavlíček
    Are 1,4-Dihydropyrazines Antiaromatic? Ab initio Study of 1,4-Dihydropyrazines and Their Tetrahydro Derivatives
    1999, Vol. 64, Issue 4, pp. 633–648 [Abstract]
  • Zdeněk Havlas and Josef Michl
    Spin-Orbit Coupling in Biradicals. 3. Heavy Atom Effects in Carbenes
    1998, Vol. 63, Issue 9, pp. 1485–1497 [Abstract]
  • Pavel Hobza and Zdeněk Havlas
    Counterpoise-Corrected Potential Energy Surfaces of Simple Hydrogen-Bonded Systems
    1998, Vol. 63, Issue 9, pp. 1343–1354 [Abstract]
  • Zdeněk Havlas and Hans Bock
    Bare Molecular Anions of Unsaturated Hydrocarbons: Density Functional Charge and Spin Distributions Based on Their Single Crystal Structures
    1998, Vol. 63, Issue 8, pp. 1245–1263 [Abstract]
  • Hubert Hřebabecký, Miloš Buděšínský, Milena Masojídková, Zdeněk Havlas and Antonín Holý
    1-(3,5-O-Alkylidene-2-deoxy-4-C-hydroxymethyl-α-L-threo-pentofuranosyl)uracils
    1997, Vol. 62, Issue 6, pp. 957–970 [Abstract]
  • Zdeněk Arnold, Dalimil Dvořák and Miroslav Havránek
    Convenient Preparation of 1,3-Bis(dimethylamino)trimethinium Perchlorate, Tetrafluoroborate and Hexafluorophosphate
    1996, Vol. 61, Issue 11, pp. 1637–1641 [Abstract]
  • Daniel Alexander, Petr Holý, Pavel Fiedler, Zdeněk Havlas and Jiří Závada
    Symmetrical Tris(4,6-diamino-5-methylene-2-pyrimidones): New Building Blocks for Self-Assembly of Hollow Spherical Supramolecules Locked by Hydrogen Bonds
    1996, Vol. 61, Issue 10, pp. 1464–1472 [Abstract]
  • Vladimír Král, Magdalena Pánková, Jana Günterová, Martin Bělohradský and Pavel Anzenbacher, Jr.
    Synthesis of Porphyrin Heterobinuclear Ligands
    1994, Vol. 59, Issue 3, pp. 639–648 [Abstract]
  • Zdeněk Arnold and Tomáš Kraus
    Synthesis of nucleosides derived from 2,3-dihydro-2-oxo-1H-imidazol-4-carbaldehyde
    1993, Vol. 58, Special Issue, pp. S262–S264 [Abstract]
  • Dalimil Dvořák, David Šaman, Zdeněk Arnold, Ivana Císařová and Václav Petříček
    Cycloaddition Reactions of Arylmethylenemalonaldehydes with Olefins
    1992, Vol. 57, Issue 11, pp. 2337–2358 [Abstract]
  • Jiří Burkhard and Zdeněk Arnold
    Reactions of Triformylmethane with Adamantane Derivatives Containing Primary Amino Group
    1992, Vol. 57, Issue 9, pp. 1947–1950 [Abstract]
  • Jan Hlaváček and Vladimír Král
    An Alternative Synthesis of Ψ(CH2O) Pseudodipeptides
    1992, Vol. 57, Issue 3, pp. 525–530 [Abstract]
  • Zdeněk Arnold, Miloš Buděšínský and Magdalena Pánková
    Reactivity of triformylmethane. I. Reactions of triformylmethane with selected types of amino compounds
    1991, Vol. 56, Issue 5, pp. 1019–1031 [Abstract]
  • Vladimír Král, Juraj Koudelka, Helena Mohylová and David Šaman
    Novel carrier molecules: lipophilic ammonium ylides for membrane transport of metal picrates
    1991, Vol. 56, Issue 4, pp. 905–915 [Abstract]
  • Rudolf Zahradník, Zdeněk Havlas, B. Andes Hess, Jr. and Pavel Hobza
    Properties and reactivity of first and second row hydrides. Introductory remarks, isomerizations, and inversion barriers of the AH2, AH3, AH4 and related systems
    1990, Vol. 55, Issue 4, pp. 869–889 [Abstract]
  • Vladimír Král, Ladislav Jelínek and David Šaman
    Preparation and synthetic utilization of diarylmethylenemalonaldehydes
    1989, Vol. 54, Issue 10, pp. 2721–2730 [Abstract]
  • Helena Petrusová, Zdeněk Havlas, Pavel Hobza and Rudolf Zahradník
    A theoretical study on acetylene dimer, acetylene-s-tetrazine and acetylene-benzene associates
    1988, Vol. 53, Issue 11, pp. 2495–2502 [Abstract]
  • Petr Pracna and Zdeněk Havlas
    Ab initio study of the anharmonic properties of dipole moment functions of ammonia and the oxonium ion
    1988, Vol. 53, Issue 10, pp. 2175–2190 [Abstract]
  • František Tureček, Libor Brabec, Tomáš Vondrák, Vladimír Hanuš, Josef Hájíček and Zdeněk Havlas
    Sulfenic acids in the gas phase. Preparation, ionization energies and heats of formation of methane-, ethene-, and benzenesulfenic acid
    1988, Vol. 53, Issue 9, pp. 2140–2158 [Abstract]
  • Vladimír Král, Mikhail Ivanovich Kanishchev, Viktor Vladimirovich Semenov, Zdeněk Arnold, Svyatoslav Arkadievich Shevelev and Albert Aleksandrovich Fainzilberg
    Synthetic utilization of N-diformylmethylazoles: The preparation of 1-heteryl-4-nitropyrazoles
    1988, Vol. 53, Issue 7, pp. 1529–1533 [Abstract]
  • Vladimír Král, Viktor Vladimirovich Semenov, Mikhail Ivanovich Kanishchev, Zdeněk Arnold, Svyatoslav Arkadievich Shevelev and Albert Aleksandrovich Fainzilberg
    A general method of preparation of N-diformylmethylazoles and cycloimonium diformyl methylides
    1988, Vol. 53, Issue 7, pp. 1519–1528 [Abstract]
  • Tibor Gracza, Zdeněk Arnold and Jaroslav Kováč
    Synthesis of pyridazines via furan vinamidinium salts
    1988, Vol. 53, Issue 6, pp. 1297–1301 [Abstract]
  • Tibor Gracza, Zdeněk Arnold and Jaroslav Kováč
    Electrophilic ipso substitutions of furan vinamidinium salts
    1988, Vol. 53, Issue 5, pp. 1053–1059 [Abstract]
  • Dalimil Dvořák, David Šaman, Miloš Buděšínský and Zdeněk Arnold
    Arbuzov rearrangement in the reaction of arylmethylenemalonaldehydes with trimethyl phosphite: Formation of 2-(α-dimethoxyphosphonylbenzyl)-3-methoxyacroleins
    1987, Vol. 52, Issue 12, pp. 2926–2935 [Abstract]
  • Dalimil Dvořák and Zdeněk Arnold
    Reaction of arylmethylenemalonaldehydes with some nucleophiles
    1987, Vol. 52, Issue 11, pp. 2699–2709 [Abstract]
  • Dalimil Dvořák, David Šaman, Jana Hodačová, Vladimír Král and Zdeněk Arnold
    Michael reaction of methylenemalonaldehydes: Synthetic approach to 4H-pyran-5-carboxaldehydes and 2-amino-4H-pyran-5-carboxaldehydes
    1987, Vol. 52, Issue 11, pp. 2687–2698 [Abstract]
  • Tapani A. Pakkanen, Vesa Nevalainen, Vladimír Král, Reino Laatikainen and Zdeněk Arnold
    Structural investigations of substituted methylenemalonaldehydes by X-ray crystallography and NMR spectroscopy
    1987, Vol. 52, Issue 3, pp. 714–726 [Abstract]
  • Petr Kyselka, Zdeněk Havlas and Ivo Sláma
    Ion solvation in mixed solvents. An ab initio study
    1987, Vol. 52, Issue 1, pp. 14–21 [Abstract]
  • Petr Kyselka, Zdeněk Havlas and Ivo Sláma
    Ion solvation by dipolar aprotic solvents. An ab initio study
    1987, Vol. 52, Issue 1, pp. 6–13 [Abstract]
  • Ivan Bašnák, Jiří Farkaš, Jaroslav Zajíček and Zdeněk Havlas
    Synthesis of anomeric 5-cyclopropyl-2'-deoxyuridines and 1H NMR spectroscopic study of their conformation
    1986, Vol. 51, Issue 8, pp. 1764–1771 [Abstract]
  • Tibor Gracza, Zdeněk Arnold and Jaroslav Kováč
    New method of preparation of 5-(N,N-dimethylamino)-2-furylethylenes via furan vinamidinium salts
    1986, Vol. 51, Issue 4, pp. 879–888 [Abstract]
  • Tibor Gracza, Zdeněk Arnold and Jaroslav Kováč
    New type of addition to 5-substituted 4-arylidene-2-(4,5-dihydrofurfurylidene)-N,N-dimethyliminium bisperchlorates. Preparation of 4-substituted 5-(N,N-dimethylamino)-2-furancarbaldehydes
    1986, Vol. 51, Issue 3, pp. 573–580 [Abstract]
  • Petr Kyselka, Zdeněk Havlas and Ivo Sláma
    Solvation of ions by dipolar aprotic solvents and water. A CNDO/2 study
    1985, Vol. 50, Issue 11, pp. 2493–2508 [Abstract]
  • Ludmila A. Yanovskaya, Galya V. Kryshtal, Dalimil Dvořák, Vladimír Král and Zdeněk Arnold
    Substituted methylenemalonaldehydes: Condensation of dialdehydes with 1,3-bis(dimethylamino)trimethinium perchlorate
    1985, Vol. 50, Issue 10, pp. 2270–2274 [Abstract]
  • Zdeněk Arnold and Dalimil Dvořák
    Benzylidenemalonaldehydes: Synthesis of 4-aryl-2-dimethylamino-4H-1,3-oxazine-5-carboxaldehyde
    1985, Vol. 50, Issue 10, pp. 2265–2269 [Abstract]
  • Dalimil Dvořák, Miloš Buděšínský, David Šaman and Zdeněk Arnold
    Benzylidenemalonaldehydes: A redox reaction during the attempted cycloaddition on nitrosobenzene
    1985, Vol. 50, Issue 10, pp. 2260–2264 [Abstract]
  • Ludmila A. Yanovskaya, Galya V. Kryshtal, Dalimil Dvořák, Vladimír Král and Zdeněk Arnold
    Synthesis of polyenylidenemalonaldehydes
    1985, Vol. 50, Issue 6, pp. 1300–1304 [Abstract]
  • Tibor Gracza, Zdeněk Arnold and Jaroslav Kováč
    Reaction of vinamidinium salts of furan with aldehydes
    1985, Vol. 50, Issue 3, pp. 675–682 [Abstract]
  • Zdeněk Arnold, Dalimil Dvořák and Vladimír Král
    Vinylogues and heterocyclic analogues of benzylidenemalonaldehydes
    1984, Vol. 49, Issue 11, pp. 2613–2619 [Abstract]
  • Zdeněk Arnold, Vladimír Král and Dalimil Dvořák
    Synthesis of benzylidenemalonaldehydes
    1984, Vol. 49, Issue 11, pp. 2602–2612 [Abstract]
  • Tibor Gracza, Zdeněk Arnold and Jaroslav Kováč
    Vinamidium salts having a furan ring and their substitution electrophilic reactions
    1984, Vol. 49, Issue 7, pp. 1600–1604 [Abstract]
  • Zdeněk Havlas, Miroslava Synáčková, Hubert Hřebabecký, Jiří Farkaš and Jiří Beránek
    NMR and quantum chemical study of empiric 2',3'-cyclic sulphites of nucleosides
    1981, Vol. 46, Issue 2, pp. 400–408 [Abstract]
  • Vladimír Král, Zdeněk Arnold, Václav Jehlička and Otto Exner
    Quantum chemical study of sulfonium ylides: Structure, charge distribution and dipole moments
    1980, Vol. 45, Issue 4, pp. 1236–1250 [Abstract]
  • Zdeněk Havlas and Petr Maloň
    Molecular geometries - Accuracy test of the PCILO method
    1980, Vol. 45, Issue 2, pp. 321–329 [Abstract]
  • Vladimír Král and Zdeněk Arnold
    Study of some aliphatic ammonium ylides by semiempirical and ab initio methods: Structure and charge distribution
    1980, Vol. 45, Issue 1, pp. 92–103 [Abstract]
  • Vladimír Král and Zdeněk Arnold
    Trimethylammoniodiformylmethylide: Structure and charge distribution
    1980, Vol. 45, Issue 1, pp. 80–91 [Abstract]
  • Jiří Dědina, Jan Schraml, Zdeněk Arnold and Jana Šauliová
    Homonuclear Overhauser effect study of trimethinium salts
    1978, Vol. 43, Issue 12, pp. 3356–3364 [Abstract]
  • Zdeněk Havlas, Pavel Hobza and Rudolf Zahradník
    An attempt to construct a hybrid intermolecular potential
    1978, Vol. 43, Issue 5, pp. 1356–1365 [Abstract]
  • Miroslav Svoboda, Miroslava Synáčková, Zdeněk Samek, Pavel Fiedler and Zdeněk Arnold
    N,N-Dimethyl-N-alkylammoniodiformylmethylides: New group of stabilised aliphatic ylides
    1978, Vol. 43, Issue 5, pp. 1261–1275 [Abstract]
  • Miroslav Svoboda, Soňa Vašíčková and Zdeněk Arnold
    Ammoniodicyanomethylides: Synthesis and properties
    1978, Vol. 43, Issue 5, pp. 1254–1260 [Abstract]
  • Vladimír Král and Zdeněk Arnold
    Preparation and properties of dimethylsulfoniodiformylmethylide
    1978, Vol. 43, Issue 5, pp. 1248–1253 [Abstract]