| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1410108 | Journal of Molecular Structure | 2011 | 6 Pages |
Abstract
⺠DFT calculations of thiacalixarenes electronic structure. ⺠Position of benzene rings relative to bridging atoms plane determines the difference of MO. ⺠X-ray emission spectra confirm calculated difference. ⺠Calculation results correlates with regioselectivity of electrophilic substitution.
Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Gennady A. Kostin, Natalya A. Kryuchkova, Lev N. Mazalov, Vladislav G. Torgov, Andrej B. Drapaylo,