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  • 1
    Electronic Resource
    Electronic Resource
    Cycloreversion reactions for five to seven membered rings (1980)
    Springer
    Theoretical chemistry accounts 59 (1980), S. 357-364 
    Details
    ISSN: 1432-2234
    Keywords: Cycloreversion of rings
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The cycloreversion of the following ring systems was studied: (1) Cyclopentyl anion → allyl anion + ethylene, (2) Cyclohexene → butadiene + ethylene, (3) Cyclohept-4-enyl cation → butadiene + allyl cation. The potential energy surfaces of these reactions were investigated by the semiempirical MO method SINDO1 under inclusion of a 4 × 4 CI. All internal coordinates were varied. We found major differences in the nature and geometry of transition states and intermediates of these reactions. Diradical character is involved only in the fragmentation of the six membered ring.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00553393
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Cycloreversion reactions for five to seven membered rings (1981)
    Springer
    Theoretical chemistry accounts 59 (1981), S. 357-364 
    Details
    ISSN: 1432-2234
    Keywords: Cycloreversion of rings
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The cycloreversion of the following ring systems was studied: (1) Cyclopentyl anion → allyl anion + ethylene, (2) Cyclohexene → butadiene + ethylene, (3) Cyclohept-4-enyl cation → butadiene + allyl cation. The potential energy surfaces of these reactions were investigated by the semiempirical MO method SINDO1 under inclusion of a 4 × 4 CI. All internal coordinates were varied. We found major differences in the nature and geometry of transition states and intermediates of these reactions. Diradical character is involved only in the fragmentation of the six membered ring.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02402399
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
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