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Chemistry of Dewar Benzene. 1,2,5-Tri-t-Butylbicyclo[2.2.0]Hexa-2,5-Diene
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This article has been cited by 10 ACS Journal articles (5 most recent appear below).
Benzene under High Pressure: a Story of Molecular Crystals Transforming to Saturated Networks, with a Possible Intermediate Metallic Phase
Xiao-Dong Wen, Roald Hoffmann, and N. W. AshcroftJournal of the American Chemical Society2011 133 (23), 9023-9035Benzene under High Pressure: a Story of Molecular Crystals Transforming to Saturated Networks, with a Possible Intermediate Metallic Phase
Xiao-Dong Wen, Roald Hoffmann, and N. W. AshcroftJournal of the American Chemical Society2011 133 (23), 9023-9035In a theoretical study, benzene is compressed up to 300 GPa. The transformations found between molecular phases generally match the experimental findings in the moderate pressure regime (<20 GPa): phase I (Pbca) is found to be stable up to 4 GPa, while ...
Rearrangement of Dewar Benzene Derivatives Studied by DFT
Martin Dračínský, Obis Castaño, Martin Kotora and Petr BouřThe Journal of Organic Chemistry2010 75 (3), 576-581Rearrangement of Dewar Benzene Derivatives Studied by DFT
Martin Dračínský, Obis Castaño, Martin Kotora and Petr BouřThe Journal of Organic Chemistry2010 75 (3), 576-581Skeletal rearrangement of a series of substituted Dewar benzenes to biaryl products was studied with DFT methods. Excellent agreement of calculated free energies of activation with experimental kinetic data was achieved. Two different transition states ...
o-, m-, and p-Diphosphabenzenes and Their P2(C−H)4 Valence Isomers. An Ab Initio Theoretical Study
Laurence Colombet, François Volatron, Philippe Maître, and Philippe C. HibertyJournal of the American Chemical Society1999 121 (17), 4215-4221o-, m-, and p-Diphosphabenzenes and Their P2(C−H)4 Valence Isomers. An Ab Initio Theoretical Study
Laurence Colombet, François Volatron, Philippe Maître, and Philippe C. HibertyJournal of the American Chemical Society1999 121 (17), 4215-4221The 24 valence isomers of diphosphinine, P2(C−H)4, have been investigated at an electron-correlated ab initio level and by density functional theory. In analogy with benzene, the three planar forms exhibit full aromaticity and are the most stable isomers ...
Strain Energies of Silicon Rings and Clusters
Ming Zhao and Benjamin M. GimarcInorganic Chemistry1996 35 (18), 5378-5386Strain Energies of Silicon Rings and Clusters
Ming Zhao and Benjamin M. GimarcInorganic Chemistry1996 35 (18), 5378-5386Strain energies of silicon ring and cluster compounds can be calculated as energy changes of homodesmotic reactions that convert cyclic structures into acyclic molecules. The energy changes of these reactions can be calculated by taking differences ...
Photoisomerization of tri-tert-butylbenzenes. Photochemical interconversion of benzvalenes
Ivan E. Den Besten, Louis Kaplan, Kenneth E. WilzbachJournal of the American Chemical Society1968 90 (21), 5868-5872Photoisomerization of tri-tert-butylbenzenes. Photochemical interconversion of benzvalenes
Ivan E. Den Besten, Louis Kaplan, Kenneth E. WilzbachJournal of the American Chemical Society1968 90 (21), 5868-5872
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- Published In Issue October, 1962
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