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Heterocyclic Compounds M1M2E1E2H8 (M1, M2 = Al, Ga, In; E1, E2 = N, P, As): A Quantum Chemical Study. / Timoshkin, A.Yu.

в: Russian Journal of Inorganic Chemistry, Том 59, № 10, 2014, стр. 1152-1156.

Результаты исследований: Научные публикации в периодических изданияхстатьяРецензирование

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Timoshkin, A.Yu. / Heterocyclic Compounds M1M2E1E2H8 (M1, M2 = Al, Ga, In; E1, E2 = N, P, As): A Quantum Chemical Study. в: Russian Journal of Inorganic Chemistry. 2014 ; Том 59, № 10. стр. 1152-1156.

BibTeX

@article{1784c27fef8f408ab02acae9e3152bb1,
title = "Heterocyclic Compounds M1M2E1E2H8 (M1, M2 = Al, Ga, In; E1, E2 = N, P, As): A Quantum Chemical Study",
abstract = "Structural and thermodynamic characteristics of heteroelement inorganic heterocycles (MMEEH8)-M-1-E-2-E-1-H-2 (M-1, M-2 = Al, Ga, In; E-1, E-2 = N, P, As) were calculated by the density functional theory B3LYP/LANL2DZ(d,p) method. It was shown that energetic characteristics of heterocycle dissociation processes can be calculated by simple a additive scheme with the use of the average M-E bond energy. Dissociation of heteroelement heterocycles into monomeric H2MEH2 molecules proceeds according to the hardsoft acid-base (HSAB) concept.",
author = "A.Yu. Timoshkin",
year = "2014",
doi = "10.1134/S0036023614100209",
language = "English",
volume = "59",
pages = "1152--1156",
journal = "Russian Journal of Inorganic Chemistry",
issn = "0036-0236",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "10",

}

RIS

TY - JOUR

T1 - Heterocyclic Compounds M1M2E1E2H8 (M1, M2 = Al, Ga, In; E1, E2 = N, P, As): A Quantum Chemical Study

AU - Timoshkin, A.Yu.

PY - 2014

Y1 - 2014

N2 - Structural and thermodynamic characteristics of heteroelement inorganic heterocycles (MMEEH8)-M-1-E-2-E-1-H-2 (M-1, M-2 = Al, Ga, In; E-1, E-2 = N, P, As) were calculated by the density functional theory B3LYP/LANL2DZ(d,p) method. It was shown that energetic characteristics of heterocycle dissociation processes can be calculated by simple a additive scheme with the use of the average M-E bond energy. Dissociation of heteroelement heterocycles into monomeric H2MEH2 molecules proceeds according to the hardsoft acid-base (HSAB) concept.

AB - Structural and thermodynamic characteristics of heteroelement inorganic heterocycles (MMEEH8)-M-1-E-2-E-1-H-2 (M-1, M-2 = Al, Ga, In; E-1, E-2 = N, P, As) were calculated by the density functional theory B3LYP/LANL2DZ(d,p) method. It was shown that energetic characteristics of heterocycle dissociation processes can be calculated by simple a additive scheme with the use of the average M-E bond energy. Dissociation of heteroelement heterocycles into monomeric H2MEH2 molecules proceeds according to the hardsoft acid-base (HSAB) concept.

U2 - 10.1134/S0036023614100209

DO - 10.1134/S0036023614100209

M3 - Article

VL - 59

SP - 1152

EP - 1156

JO - Russian Journal of Inorganic Chemistry

JF - Russian Journal of Inorganic Chemistry

SN - 0036-0236

IS - 10

ER -

ID: 7010932