Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Dimeric inorganic rings [X2MYH2]2 and [XMYH]2 (X=H,F,Cl,Br,I; M=Al,Ga,In; Y=N,P,As) and related monomer compounds X2MYH2, XMYH were theoretically investigated at B3LYP /LANL2DZP level of theory. Optimized structures and standard thermodynamic parameters of gas phase dissociation reactions were obtained. Nitrogen and Al-containing rings have higher stability compared to P,As and Ga,In systems; substituents × have minor effect on M-Y dissociation energy. [X2MNH2]2 dimers are stable in the gas phase up to 1100-1300K.
Язык оригинала | английский |
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Страницы (с-по) | 275-280 |
Число страниц | 6 |
Журнал | Phosphorus, Sulfur and Silicon and Related Elements |
Том | 168-169 |
Состояние | Опубликовано - 2001 |
ID: 17371277