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

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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, Vol. 98, No. 4, 30.05.2024, p. 601-608.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{ad3b7184cffb4de68b94db2be8269fac,

title = "Estimation of the Dissociation Energies of Donor–Acceptor Complexes of Group 13–15 Element Compounds within the Framework of the Statistical EC Model",

abstract = "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.",

keywords = "ECW model, Lewis acids, Lewis bases, donor-acceptor complexes, group 13–15 elements",

author = "Дойников, {Дмитрий Александрович} and Завгородний, {Артем Сергеевич} and Тимошкин, {Алексей Юрьевич}",

year = "2024",

month = may,

day = "30",

doi = "10.1134/s003602442404006x",

language = "English",

volume = "98",

pages = "601--608",

journal = "Russian Journal of Physical Chemistry A",

issn = "0036-0244",

publisher = "МАИК {"}Наука/Интерпериодика{"}",

number = "4",

}

RIS

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

VL - 98

SP - 601

EP - 608

JO - Russian Journal of Physical Chemistry A

JF - Russian Journal of Physical Chemistry A

SN - 0036-0244

IS - 4

ER -

ID: 121089517