Hydrogen Bonds, Halogen Bonds, and Other Non-Covalent Interactions in a Series of Iodocymantrenes [Mn(C<sub>5</sub>I<i><sub>n</sub></i>H<sub>5−<i>n</i></sub>)(CO)<sub>2</sub>L], L = CO, PPh<sub>3</sub>, and <i>n</i> = 1–5
In this study, the molecular and crystal structures of iodocymantrenes [Mn(C<sub>5</sub>I<i><sub>n</sub></i>H<sub>5−<i>n</i></sub>)(CO)<sub>2</sub>(PPh<sub>3</sub>)] (<b>1b</b> <i>n</i> = 1; &...
Saved in:
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-11-01
|
| Series: | Inorganics |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2304-6740/12/12/305 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Summary: | In this study, the molecular and crystal structures of iodocymantrenes [Mn(C<sub>5</sub>I<i><sub>n</sub></i>H<sub>5−<i>n</i></sub>)(CO)<sub>2</sub>(PPh<sub>3</sub>)] (<b>1b</b> <i>n</i> = 1; <b>2</b>, <i>n</i> = 2; <b>3</b>, <i>n</i> = 3) are reported and compared with the known structures of [Mn(C<sub>5</sub>I<i><sub>n</sub></i>H<sub>5−<i>n</i></sub>)(CO)<sub>3</sub>] (<b>1a</b>, <i>n</i> = 1; <b>5</b>, <i>n</i> = 5) and [Mn(C<sub>5</sub>I<sub>4</sub>H)(CO)<sub>2</sub>(PPh<sub>3</sub>)] (<b>4</b>). 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 PPh<sub>3</sub> ligand is present, and this is mainly based on dispersive interactions. However, without the PPh<sub>3</sub> ligand, H…I and other I…X contacts are the most frequently observed intermolecular interactions. |
|---|---|
| ISSN: | 2304-6740 |