Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
The reaction of bis(isocyanide)palladium complex cis-[PdCl2(CNXyl)2] (Xyl=2,6-Me2C6H3) with excess of 4,5-dichlorobenzene-1,2-amine in a C2H4Cl2/MeOH mixture affords monocationic bis(diaminocarbene) complex cis-[PdClC{(NHXyl)=NHC6H2Cl2NH2}{C(NHXyl)=NHC6H2Cl2NH2}]Cl (3) in moderate yield (42%). Complex 3 exists in the solid phase in the H-bonded dimeric associate of two single charged organometallic cations and two chloride anions according to X-ray diffraction data. The Hirshfeld surface analysis for the X-ray structure of 3 reveals that the crystal packing is determined primarily by intermolecular contacts H-Cl, H-H, and H-C. The intermolecular hydrogen bonds N-H···Cl and C-H···Cl in the H-bonded dimeric associate of 3 were studied by DFT calculations and topological analysis of the electron density distribution within the framework of QTAIM method, and estimated energies of these supramolecular contacts vary from 1.6 to 9.1 kcal/mol. Such non-covalent bonding means that complex 3 is an anionic receptor for the chloride anions.
Язык оригинала | английский |
---|---|
Страницы (с-по) | 155-164 |
Число страниц | 10 |
Журнал | Zeitschrift fur Kristallographie - Crystalline Materials |
Том | 234 |
Номер выпуска | 3 |
Дата раннего онлайн-доступа | 2018 |
DOI | |
Состояние | Опубликовано - мар 2019 |
ID: 36063582