| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5394445 | Computational and Theoretical Chemistry | 2012 | 8 Pages |
Abstract
⺠The ternary (CH3X)(HNC)(HCN) complexes (X = Cl, Br) are investigated. ⺠Hydrogen bond, halogen bond and Nâ¯C interaction coexist in these complexes. ⺠The interrelation among three different type interactions is studied. ⺠H-bond predominates, whereas halogen bond is the weakest interaction. ⺠Both two- and three-body contributions to interaction energies are estimated by SAPT.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
MaÅgorzata DomagaÅa, Piotr Matczak, Marcin Palusiak,