Collect. Czech. Chem. Commun. 1998, 63, 1485-1497
https://doi.org/10.1135/cccc19981485

Spin-Orbit Coupling in Biradicals. 3. Heavy Atom Effects in Carbenes

Zdeněk Havlasa and Josef Michlb

a Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 166 10 Prague 6, Czech Republic
b Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO 80309-0215, U.S.A.

Individual author index pages


Other CCCC articles of these authors

  • Matthew K. MacLeod and Josef Michl*
    Why do disilanes fail to fluoresce?
    2011, Vol. 76, Issue 12, pp. 2085–2116 [Abstract]
  • Martin Lepšík, Martin Srnec, Drahomír Hnyk, Bohumír Grüner, Jaromír Plešek, Zdeněk Havlas and Lubomír Rulíšek*
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    2009, Vol. 74, Issue 1, pp. 1–27 [Abstract]
  • Libor Veis, Petr Čársky, Jiří Pittner and Josef Michl*
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    2008, Vol. 73, Issue 11, pp. 1525–1551 [Abstract]
  • Douglas C. Caskey, Bing Wang, Xiaolai Zheng and Josef Michl*
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    2005, Vol. 70, Issue 11, pp. 1970–1985 [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]
  • Daniel Svozil*, Pavel Jungwirth and Zdeněk Havlas
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    2004, Vol. 69, Issue 7, pp. 1395–1428 [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]
  • Pawel Rempala and Josef Michl*
    A Proposed Mechanism of [closo-CB11H12]- Formation by Dichlorocarbene Insertion Into [nido-B11H14]-. A Computational Study by Density Functional Theory
    2003, Vol. 68, Issue 3, pp. 644–662 [Abstract]
  • Zbyněk Janoušek, Cameron L. Hilton, Peter J. Schreiber and Josef Michl*
    C-Halogenation of the closo-[CB11H12]- Anion
    2002, Vol. 67, Issue 7, pp. 1025–1034 [Abstract]
  • Andreas Franken, Benjamin T. King, Jens Rudolph, Photon Rao, Bruce C. Noll and Josef Michl*
    Preparation of [closo-CB11H12]- by Dichlorocarbene Insertion Into [nido-B11H14]-
    2001, Vol. 66, Issue 8, pp. 1238–1249 [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]
  • Benjamin T. King, Bruce C. Noll and Josef Michl*
    Cation-π Interactions in the Solid State: Crystal Structures of M+(benzene)2CB11Me12- (M = Tl, Cs, Rb, K, Na) and Li+(toluene)CB11Me12-
    1999, Vol. 64, Issue 6, pp. 1001–1012 [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]
  • 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]
  • 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]
  • Tomasz Janecki, Shu Shi, Piotr Kaszynski and Josef Michl
    [n]Staffanes with Terminal Nitrile and Isonitrile Functionalities and Their Metal Complexes
    1993, Vol. 58, Issue 1, pp. 89–104 [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]
  • 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]
  • Parvathi S. Murthy and Josef Michl
    Conformational analysis by infrared linear dichroism of solutes in stretched polyethylene: The twist angle in biphenyl and 4,4'-dibromobiphenyl
    1988, Vol. 53, Issue 10, pp. 2366–2376 [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]
  • 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]
  • 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]
  • Vladimír Král, Zdeněk Arnold and Zdeněk Havlas
    Semiempirical and ab initio study of the nature of the C-S bond in sulfonium ylides
    1981, Vol. 46, Issue 4, pp. 883–891 [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]
  • Zdeněk Havlas and Petr Maloň
    Molecular geometries - Accuracy test of the PCILO method
    1980, Vol. 45, Issue 2, pp. 321–329 [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]