Research output: Contribution to journal › Article › peer-review
Estimation of the Dissociation Energies of Donor–Acceptor Complexes of Group 13–15 Element Compounds within the Framework of the Statistical EC Model. / Дойников, Дмитрий Александрович; Завгородний, Артем Сергеевич; Тимошкин, Алексей Юрьевич.
In: Russian Journal of Physical Chemistry A, 30.05.2024.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Estimation of the Dissociation Energies of Donor–Acceptor Complexes of Group 13–15 Element Compounds within the Framework of the Statistical EC Model
AU - Дойников, Дмитрий Александрович
AU - Завгородний, Артем Сергеевич
AU - Тимошкин, Алексей Юрьевич
PY - 2024/5/30
Y1 - 2024/5/30
N2 - Abstract: The parameters of 18 Lewis bases of group 13–15 elements E'H2EH2⋅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.
AB - Abstract: The parameters of 18 Lewis bases of group 13–15 elements E'H2EH2⋅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.
KW - ECW model
KW - Lewis acids
KW - Lewis bases
KW - donor-acceptor complexes
KW - group 13–15 elements
UR - https://www.mendeley.com/catalogue/319d4333-d758-3bdf-b2cc-1e21e107fc64/
U2 - 10.1134/s003602442404006x
DO - 10.1134/s003602442404006x
M3 - Article
JO - Russian Journal of Physical Chemistry A
JF - Russian Journal of Physical Chemistry A
SN - 0036-0244
ER -
ID: 121089517