Norcaradiene-cycloheptatriene substituted in position 7: Investigation of the valence isomerization equilibrium


Guzel Y. , Saripinar E. , Yildirim I.

MONATSHEFTE FUR CHEMIE, cilt.127, ss.513-517, 1996 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 127 Konu: 5
  • Basım Tarihi: 1996
  • Doi Numarası: 10.1007/bf00807076
  • Dergi Adı: MONATSHEFTE FUR CHEMIE
  • Sayfa Sayıları: ss.513-517

Özet

The valence isomerism of a series of noncaradiene-cycloheptatriene compounds is investigated. Geometry and energy calculations allow to explain the nature of the transitions. Peculiarities of equilibrium shifts between different structures depending on the substituent at position 7 (X = CH3, NH2, CHO, CN) are discussed. The nature of the interaction between the substituent X and the ring (sigma- or pi-interaction) is investigated.