Estimation of the Dissociation Energies of Donor-Acceptor Complexes of Group 13-15 Element Compounds within the Framework of the Statistical EC Model

被引:0
作者
Doinikov, D. A. [1 ]
Zavgorodnii, A. S. [1 ]
Timoshkin, A. Yu. [1 ]
机构
[1] St Petersburg State Univ, Inst Chem, St Petersburg 199034, Russia
基金
俄罗斯科学基金会;
关键词
group; 13-15; elements; ECW model; Lewis acids; Lewis bases; donor-acceptor complexes; ENTHALPIES; EQUATION;
D O I
10.1134/S003602442404006X
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The parameters of 18 Lewis bases of group 13-15 elements E'H2EH2 center dot LB (E' = P, As, Sb; E = B, Al, Ga; LB = SMe2, NMe3) and 18 Lewis acids of group 13 elements ER3 (R = H, F, Cl, Br, Me, C6F5) were optimized using a statistical approach within the electrostatic-covalent (EC) model. The EC model allows prediction of dissociation energies of donor-acceptor complexes with an absolute median deviation of +/- 4 kJ mol(-1), but this approach is not applicable to estimation of donor-acceptor bond energies.
引用
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页码:601 / 608
页数:8
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