Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Structural and thermodynamic characteristics of adducts GeX 4 • nL (n = 1, 2; X = F, Cl, Br; L = NH 3 , py, bipy, phen) have been calculated by the B3LYP density functional theory method. The enthalpies of sublimation of complexes trans-GeX 4 • 2py and the adduct GeCl 4 • bipy have been estimated for the first time. The rearrangement energies of the donor and acceptor fragments and the Ge-N bond energies for the 1:1 and 1:2 complexes have been calculated. While the rearrangement energy for germanium halides is lower by 19-63 kJ mol -1 than that for silicon halides, the energy of the donor-acceptor bond in the former case is slightly lower. As a result, germanium adducts are slightly more stable than silicon adducts.
Язык оригинала | английский |
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Страницы (с-по) | 545-553 |
Число страниц | 9 |
Журнал | Russian Journal of General Chemistry |
Том | 76 |
Номер выпуска | 4 |
DOI | |
Состояние | Опубликовано - 1 апр 2006 |
ID: 45792860