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(Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies.
- Source :
-
CrystEngComm . 2/21/2020, Vol. 22 Issue 7, p1154-1159. 6p. - Publication Year :
- 2020
-
Abstract
- Inspection of the X-ray structure of the newly prepared trans-[PdCl(CNXyl)ADC] (ADC = XylNH–C_;=N–[5-iodo-2,6-dimethylpyrimidin-4-yl]) complex made it possible to identify for the first time the π-hole interaction involving the nitrogen atom of a coordinated isocyano group with a lone pair. Processing of available CSD data and results of DFT calculations revealed the possibility of two different sites for π-hole interaction involving isocyanides, i.e. both isocyano carbon and nitrogen centers are capable of acting as the π-hole donor toward lone pairs. [ABSTRACT FROM AUTHOR]
- Subjects :
- *NONBONDING electron pairs
*ISOCYANIDES
Subjects
Details
- Language :
- English
- ISSN :
- 14668033
- Volume :
- 22
- Issue :
- 7
- Database :
- Academic Search Index
- Journal :
- CrystEngComm
- Publication Type :
- Academic Journal
- Accession number :
- 141771085
- Full Text :
- https://doi.org/10.1039/c9ce01741k