Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Two annulated triazapentadiene systems, viz. 1,3,5,7,9-pentaazanona-1,3,6,8-tetraenate chloride complexes of Pt II, form CCl 4 solvates, containing the Cl 3 C-Cl···Cl-Pt halogen bonds. These halogen bonds are firstly reported type of Cl 3 C-Cl···Cl-M contacts. In the X-ray structures of two solvates different non-covalent interactions were detected and studied by DFT calculations and topological analysis of the electron density distribution within the framework of QTAIM method at the M06/DZP-DKH level of theory. Estimated energies of these supramolecular contacts vary from 0.6 to 2.4 kcal/mol.
Язык оригинала | английский |
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Страницы (с-по) | 9-17 |
Число страниц | 9 |
Журнал | Zeitschrift fur Kristallographie - Crystalline Materials |
Том | 234 |
Номер выпуска | 1 |
DOI | |
Состояние | Опубликовано - 1 янв 2019 |
ID: 33236683