Quantitative structure-property relationship: XXVII. Estimation of the free energy of formation of host-guest complexes of α-cyclodextrin with benzene derivatives |
| |
| Authors: | I. B. Golovanov S. M. Zhenodarova I. G. Tsygankova |
| |
| Affiliation: | (1) Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, ul. Institutskaya 3, Pushchino, Moscow oblast, 142290, Russia |
| |
| Abstract: | A structure-property relationship was used to estimate the free energy of formation of host-guest complexes of α-cyclodextrin with monosubstituted benzene and phenol derivatives and with symmetrical 1,4-disubstituted benzene derivatives, in which various nonvalent interactions (hydrophobic, van der Waals, donor-acceptor) play a significant role. The calculated values are well consistent with the experiment. |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
