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Theoretical studies on valence tautomerism between 1,6-methano[10]annulene and tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene

Cremer, Dieter and Dick, Bernhard (1982) Theoretical studies on valence tautomerism between 1,6-methano[10]annulene and tricyclo[4.4.1.01,6]undeca-2,4,7,9-tetraene. Angewandte Chemie 94 (11), pp. 877-878.

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Abstract

The energy profiles for the valence-tautomeric equil. I.dblharw.II and III.dblharw.IV were detd. by ab initio calcns. The energy barrier for the forward and back reaction for I.dblharw.II was 7.3 and 2.3 kcal/mol; these values are .apprx.3 kcal/mol smaller than those for the III.dblharw.IV ...

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Item Type:Article
Date:1982
Additional information (public):CAN 98:16035 22-2 Physical Organic Chemistry 61997-35-1; 61997-37-3 Role: RCT (Reactant), RACT (Reactant or reagent) (valence isomerization of); 174-23-2; 544-25-2; 2443-46-1; 14515-09-4 Role: RCT (Reactant), RACT (Reactant or reagent) (valence isomerization of, MO calcns. in relation to)
Institutions:Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Light and Matter) > Prof. Dr. Bernhard Dick
Identification Number:
ValueType
1983:16035Other
10.1002/anie.198208651DOI
Keywords:Potential energy surface and hypersurface (for valence isomerization of methanoannulene and cycloheptatriene); Molecular orbital (ab initio, valence isomerization of methanoannulene and cycloheptatriene in relation to); Isomerization (valence, of methanoannulene and cycloheptatriene, MO calcns. in relation to); isomerization methanoannulene cycloheptatriene MO; potential surface isomerization methanoannulene cycloheptatriene
Subjects:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:No
Owner: Universitätsbibliothek Regensburg
Deposited On:22 Jan 2009 13:42
Last Modified:13 Mar 2014 18:25
Item ID:5492
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