Journal
DALTON TRANSACTIONS
Volume 51, Issue 28, Pages 10728-10739Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/d2dt00185c
Keywords
-
Categories
Ask authors/readers for more resources
This study explores the possibilities of supramolecular stabilization of polyiodides and iodine-dense phases using diprotonated cyclen, resulting in two novel crystal structures. The study reveals a unique interatomic distance that is close to the accepted limit for covalent bonding, suggesting a revision of the currently accepted threshold distance values.
Supramolecular stabilization of polyiodides and iodine-dense phases is of high interest: this study explores the possibilities offered in this sense by diprotonated cyclen, affording two novel crystal structures. One of them contains at least one peculiar IMIDLINE HORIZONTAL ELLIPSISI interatomic distance (3.305(1) angstrom), falling well below the region commonly described by secondary bonding (3.4-3.7 angstrom) and essentially equal to the accepted limit for covalent bonding (3.30 angstrom): in other words, according to threshold distance values, we are relatively free to regard this interaction either as a bond or as contact. Lest the flip of a coin decides if we should or should not draw a bond in a polyiodide, statistical insights based on CSD surveys were used to put in perspective literature material and work out a meaningful assignment (as I-8(2-)). In doing so, we address how currently accepted threshold distance values came to be in the first place, their significance, soundness, and shortcomings in describing I-8(2-) and its formal fragments (I-2, I-3(-), I-5(-)). Discussion of the chemical meaning of the line representing bonding in I-I fragments in similar fringe cases, relating CSD data herein presented with the previous literature, is provided. Available information coincides quite well in supporting the necessity of a revision of broadly accepted threshold distance values.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available