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Theoretical studies of proton transfer reactions in 1-methylindene
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Quantum Chemistry. Chemistry, Department of Physical and Analytical Chemistry, Quantum Chemistry. Kvantkemi.
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Quantum Chemistry. Chemistry, Department of Physical and Analytical Chemistry, Quantum Chemistry.
Department of Chemistry. Chemistry, Department of Physical and Analytical Chemistry, Quantum Chemistry.
Department of Chemistry. Chemistry, Department of Physical and Analytical Chemistry, Quantum Chemistry.
1998 (English)In: ACTA CHEMICA SCANDINAVICA, ISSN 0904-213X, Vol. 52, no 5, p. 541-548Article in journal (Refereed) Published
Abstract [en]

The base-catalysed 1,3-proton transfer reactions in 1-methylindene have been studied theoretically in polar (water) and unpolar (cyclohexane) solvents, respectively, for two different choices of bases, namely ammonia and trimethylamine (TMA), using the SM
Place, publisher, year, edition, pages
1998. Vol. 52, no 5, p. 541-548
Keywords [en]
CATALYZED 1;3-PROTON TRANSFER; AQUEOUS SOLVATION; FREE-ENERGIES; MODEL; REARRANGEMENT; PM3-SM3
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-36105OAI: oai:DiVA.org:uu-36105DiVA, id: diva2:64004
Note
Addresses: Lunell S, Univ Uppsala, Dept Quantum Chem, Thunbergsvagen 3, POB 518, S-75120 Uppsala, Sweden. Univ Uppsala, Dept Quantum Chem, S-75120 Uppsala, Sweden. Univ Uppsala, Dept Chem, S-75120 Uppsala, Sweden.Available from: 2007-02-01 Created: 2007-02-01 Last updated: 2011-01-14

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