Halogen Bonding Provides Heterooctameric Supramolecular Aggregation of Diaryliodonium Thiocyanate
The crystal structure of the newly synthesized 4-methoxyphenyl(phenyl)iodonium thiocyanate, [PhI(4-C6H4OMe)](SCN), represents the first example of 16-membered cyclic heterooctamer formed by halogen bonding between the iodonium cation and SCN−. Results of density functional theory (DFT) calculations followed by the topological analysis of the electron density distribution within the framework of the quantum theory of atoms in molecules (QTAIM) method at the ωB97XD/DZP-DKH level of theory reveal that energies of attractive intermolecular noncovalent interactions I···S and I···N (responsible for the formation of heterooctameric supramolecular clusters {PhI(4-C6H4OMe)}4·{SCN}4 in the solid state structure of [PhI(4-C6H4OMe)](SCN)) vary from 0.9 to 8.5 kcal/mol.
Top-30
Journals
|
1
2
3
4
5
|
|
|
Crystal Growth and Design
5 publications, 11.63%
|
|
|
Russian Journal of Coordination Chemistry/Koordinatsionnaya Khimiya
5 publications, 11.63%
|
|
|
Journal of Structural Chemistry
4 publications, 9.3%
|
|
|
Координационная химия
4 publications, 9.3%
|
|
|
Polyhedron
3 publications, 6.98%
|
|
|
CrystEngComm
2 publications, 4.65%
|
|
|
Crystals
2 publications, 4.65%
|
|
|
Inorganica Chimica Acta
2 publications, 4.65%
|
|
|
Russian Journal of Inorganic Chemistry
2 publications, 4.65%
|
|
|
Organic Chemistry Frontiers
1 publication, 2.33%
|
|
|
Chemical Science
1 publication, 2.33%
|
|
|
Mendeleev Communications
1 publication, 2.33%
|
|
|
Russian Chemical Bulletin
1 publication, 2.33%
|
|
|
Nanomaterials
1 publication, 2.33%
|
|
|
Chemistry - An Asian Journal
1 publication, 2.33%
|
|
|
Liquid Chromatography of Synthetic Polymers
1 publication, 2.33%
|
|
|
Computational Materials Science
1 publication, 2.33%
|
|
|
Inorganic Chemistry Frontiers
1 publication, 2.33%
|
|
|
Surfaces and Interfaces
1 publication, 2.33%
|
|
|
Inorganic Chemistry Communication
1 publication, 2.33%
|
|
|
Inorganics
1 publication, 2.33%
|
|
|
Journal of Molecular Liquids
1 publication, 2.33%
|
|
|
Journal of Organic Chemistry
1 publication, 2.33%
|
|
|
1
2
3
4
5
|
Publishers
|
2
4
6
8
10
12
14
|
|
|
Pleiades Publishing
13 publications, 30.23%
|
|
|
Elsevier
9 publications, 20.93%
|
|
|
American Chemical Society (ACS)
6 publications, 13.95%
|
|
|
Royal Society of Chemistry (RSC)
5 publications, 11.63%
|
|
|
MDPI
4 publications, 9.3%
|
|
|
Springer Nature
2 publications, 4.65%
|
|
|
The Russian Academy of Sciences
2 publications, 4.65%
|
|
|
OOO Zhurnal "Mendeleevskie Soobshcheniya"
1 publication, 2.33%
|
|
|
Wiley
1 publication, 2.33%
|
|
|
2
4
6
8
10
12
14
|
- We do not take into account publications without a DOI.
- Statistics recalculated weekly.