Gorban' O. .Electronic structure, physico-chemical properties and rearrangements of planar conjugated carbenes

Українська версія

Thesis for the degree of Candidate of Sciences (CSc)

State registration number

0499U003140

Thesis Registration Form

0499U003140.pdf

Applicant for

Specialization

  • 02.00.04 - Фізична хімія

04-11-1999

Specialized Academic Board

Д 11.216.01

Essay

Within the conjugated variant of the perturbation theory there have been developed design procedures of physico-chemical characteristics/ There have been revealed reqularites of changing thermochemical, electrical and magnetic characteristics on the structure of the singlet carbenes studied. On the base calculations of relative diamagnetic susceptibilities and induced (-electron currents the carbenes studied were related to a single scale of aromaticity-antiaromaticity of organic compounds. The rearrangements of planar conjugated carbenes were been described and compared in terms of the Fukui index approach.

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