Hydrogen Bonds, Halogen Bonds, and Other Non-Covalent Interactions in a Series of Iodocymantrenes [Mn(C5InH5−n)(CO)2L], L = CO, PPh3, and n = 1–5

In this study, the molecular and crystal structures of iodocymantrenes [Mn(C5InH5−n)(CO)2(PPh3)] (1b n = 1; 2, n = 2; 3, n = 3) are reported and compared with the known structures of [Mn(C5InH5−n)(CO)3] (1a, n = 1; 5, n = 5) and [Mn(C5I4H)(CO)2(PPh3)] (4). In the crystals, many weak interactions lik...

Full description

Saved in:
Bibliographic Details
Published in:Inorganics 2024-12, Vol.12 (12), p.305
Main Authors: Klein-Heßling, Christian, Sünkel, Karlheinz
Format: Article
Language:English
Subjects:
Crystals
halogen bond
Hirshfeld analysis
hydrogen bond
Hydrogen bonding
Hydrogen bonds
Iodine
iodocymantrene
Ligands
Molecular structure
non-covalent interactions
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:In this study, the molecular and crystal structures of iodocymantrenes [Mn(C5InH5−n)(CO)2(PPh3)] (1b n = 1; 2, n = 2; 3, n = 3) are reported and compared with the known structures of [Mn(C5InH5−n)(CO)3] (1a, n = 1; 5, n = 5) and [Mn(C5I4H)(CO)2(PPh3)] (4). In the crystals, many weak interactions like H bonds (H…O, H…I, H…π), halogen bonds (I…I, I…O, I…C, I…π), and π-π contacts are found. Hirshfeld analyses show that H bonding is far more important when the PPh3 ligand is present, and this is mainly based on dispersive interactions. However, without the PPh3 ligand, H…I and other I…X contacts are the most frequently observed intermolecular interactions.
ISSN:2304-6740
2304-6740
DOI:10.3390/inorganics12120305