Cover Feature: Attraction versus Repulsion between Methyl and Related Groups: (CH<sub>3</sub>NHCH<sub>3</sub>)<sub>2</sub> and (CH<sub>3</sub>SeBr<sub>2</sub>CH<sub>3</sub>)<sub>2</sub> (ChemPhysChem 22/2024)
One can find numerous homodimeric structures in the Cambridge Structure Database (CSD), where one might assume that there is a methyl⋅⋅⋅methyl interaction in terms of C⋅⋅⋅C distance and bonding angle criteria. Furthermore, the results of QTAIM, NCI and NBO analyses can erroneously suggest that the interaction between them is attractive, whereas in some cases it is actually repulsive, as evidenced by the positive value of the interaction energy. More information can be found in the Research Article by M. Michalczyk and co-workers (DOI: 10.1002/cphc.202400495).
Authors
- Mariusz Michalczyk (ORCID: https://orcid.org/0000-0002-6495-6963)
- Wiktor Zierkiewicz (ORCID: https://orcid.org/0000-0002-4038-5959)
- Steve Scheiner (ORCID: https://orcid.org/0000-0003-0793-0369)
Institutions
- Wrocław University of Science and Technology (PL)
- Utah State University (US)
- AGH University of Krakow (PL)
Publication Details
- Journal
- ChemPhysChem
- Published
- 2024-11-18
- DOI
- https://doi.org/10.1002/cphc.202482203
- Primary Topic
- Organometallic Compounds Synthesis and Characterization
- Type
- article
- Field-Weighted Citation Impact
- 0.00