A Theoretical Aspect on the Mechanism of Thermal Dimerization of Cyclooctatetraene
スポンサーリンク
概要
- 論文の詳細を見る
Thermal isomerization of cyclooctatetraene to semibullvalene <B>6</B> has been studied theoretically by the MINDO methods. The reaction is predicted to be exothermic by comparison of the calculated heats of formation and to be allowed as a concerted cyclization by constructing a complete MO correlatiom diagram. These findings together with the knowledge of thermal interconversion of cyclooctatetraene and bicyclo[4.2.0]octa-2,4,7-triene <B>5</B> suggest a tentative mechanism for thermal dimerization of cyclooctatetraene in which dimers <B>2</B>, <B>3</B>, and <B>4</B> are formed by coupling of the two isomers <B>5</B> and <B>6</B> of cyclooctatetraene.
- 公益社団法人 日本化学会の論文
著者
-
Iwamura Hiizu
Department Of Chemistry Faculty Of Science The University Of Tokyo
-
Morio Kazuhiko
Department of Chemistry, Faculty of Scienc, The University of Tokyo
-
Morio Kazuhiko
Department of Chemistry, Faculty of Science, The University of Tokyo
関連論文
- Exploratory and Mechanistic Studies of the Trimerization Reaction of Benzoylacetylenes in the Presence of a Secondary Amine
- Ferromagnetism in Organic Radical Crystal of 4-(p-Chlorobenzylideneamino)-2,2,6,6-tetramethylpiperidin-1-oxyl
- An Organic Ferromagnet with a Tc of 0.4 K. 4-(p-Phenylbenzylideneamino)-2,2,6,6-tetramethylpiperidin-1-oxyl
- A New Organic Ferromagnet: 4-Benzylideneamino-2,2,6,6-tetramethylpiperidin-1-oxyl
- Molecular Ferromagnet, PM[VO(hfac)_2]_2 (PM=pyrimidine, hfac = 1,1,1,5,5,5-hexafluoropenta-2,4-dionate). Ferromagnetic Assembly of Ground High-Spin Molecules
- Structures and Magnetic Properties of Bis(hexafluoroacetylacetonato)manganese(II) Ligated withN-[3- and 4-(N-tert-Butyl-N-oxyaminophenyl)]imidazole
- Photochemistry of 9-Benzyloxytriptycenes
- Intermolecular Ferromagnetic Interaction of 4-(2-Naphthylmethyleneamino)-2,2,6,6-tetramethylpiperidin-1-oxyl
- Approaches toward High-Spin Poly[m-(nitrenophenylene)ethynylenes]. Magnetic Interaction in the Oligomers Containing Two, Three, and Five Nitrene Units
- Pyrimidines as Ferromagnetic Exchange Couplers in Dinuclear Oxovanadium(IV) Coplexes
- One-Dimensional Ferrimagnetic Chains with Weak Ferromagnetic Interchain Interaction in a 1 : 1 Manganese(II) Bis(hexafluoroacetylacetonate) Complex with Bis[3-tert-butyl-5-(N-oxy-tert-butylamino)phenyl] Nitroxide
- Intramolecular Interaction between Hydroxyl Group and π-Electrons. X. Tertiary Alcohols Related to Phenethyl Alcohol and 3-Buten-1-ol
- Carboxyl Group as a Proton Donor in the Interaction between Hydroxyl Group and π-Electrons
- Intramolecular Interaction between Hydroxyl Group and π-Electrons. XVI. νO-H Absorption Spectra of Aryldimethylcarbinols and Related Compounds
- Observation of Dynamic Nuclear Polarization in the Reaction of N,N-Dimethylaniline Oxide with Acetic Anhydride
- Reaction of 4-Picoline N-Oxide with Acetic Anhydride as Studied by Chemically Induced Dynamic 13C Polarization (CIDNP)
- Chemically Induced Nuclear Polarization in the Hydroxylamine Derivatives Obtained by Addition of 1-Cyano-1-methylethyl Radicals
- Anomeric Effect Involving Carboxyl and Ethynyl Group in Sulfur-Containing Heterocycles
- Studies of Reaction Mechanisms with All-valence Electron Semi-empirical SCF MO Theories. IX. The Role of Tetracyclo[4.2.0.02,805,7]oct-3-ene on the Ground State Potential Energy Hypersurfaces of (CH)8 Isomers
- CIDNP investigation of aminyl radicals formed by thermolysis of triazenes.
- Anomeric Effect in Sulfur Heterocycles Carrying Sulfur Substituents
- N-Isopropylidene- and N-sec-Butylideneanilines. I. Preparation and Characterization
- N-Alkylideneanilines. III. Behavior of N-Isopropylideneanilines in Methanol-d4
- Effects of para-Substituents on the Rates of Inversion of Biphenyl Derivatives. I. 5,7-Dihydrodibenzo[c,e]thiepins
- Nuclear Magnetic Resonance Study of the Effect of the Hydrogen Bond on the Internal Rotation of Biphenyls
- N-Alkylideneanilines. IV. Kinetics and Mechanism for Site-Exchange of the Methyl Groups in N-Isopropylideneanilines
- Mecchanism of the reaction of methoxycarbonylcarbene as revealed by CIDNP. V. Thermal reaction of methyl diazoacetate with benzyl ethers.
- Studies of Reaction Mechanisms by All-valence Electron Semi-Empirical SCF MO Theories. VIII. Electronic Structure and Valence Isomerization of syn- and anti-Tricyclo[4.2.0.02,5]octa-3,7-dienes
- A Theoretical Aspect on the Mechanism of Thermal Dimerization of Cyclooctatetraene
- The Cope Rearrangement of Bridged Homotropilidenes Studied by MINDO Methods