Modern level for properties prediction of iodine-containing organic compounds: the halogen bonds formed by iodine

The modern concepts on specific features of anisotropy of the electron density of valence shells of bound atoms and chemical bonds providing the successful description of the properties of halogen bonds formed by the iodine molecule in compounds with useful physicochemical properties are generalized...

Full description

Saved in:
Bibliographic Details
Published in:Russian chemical bulletin 2017-08, Vol.66 (8), p.1345-1356
Main Authors: Bartashevich, E. V., Grigoreva, E. A., Yushina, I. D., Bulatova, L. M., Tsirelson, V. G.
Format: Article
Language:English
Subjects:
ANISOTROPY
ATOMS
Basicity
CHEMICAL BONDS
Chemistry
Chemistry and Materials Science
Chemistry/Food Science
CRYSTALS
ELECTRON DENSITY
Electronic properties
FORECASTING
Inorganic Chemistry
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
IODINE
IODINE COMPOUNDS
MOLECULES
NITROGEN
Organic Chemistry
ORGANIC COMPOUNDS
Organic crystals
RAMAN SPECTRA
Reviews
SIMULATION
VALENCE
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The modern concepts on specific features of anisotropy of the electron density of valence shells of bound atoms and chemical bonds providing the successful description of the properties of halogen bonds formed by the iodine molecule in compounds with useful physicochemical properties are generalized in the review. The prognoses of basicity by the diiodine basicity scale for the nitrogen-containing compounds are illustrated. The regularities and peculiarities of shifting bands in Raman spectra of iodine-containing organic crystals are considered. The methodical and specific problems of modeling appeared when the electronic characteristics of the iodine compounds are estimated and briefly discussed.
ISSN:1066-5285
1573-9171
DOI:10.1007/s11172-017-1898-1