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; &...
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2024-11-01
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| author | Christian Klein-Heßling Karlheinz Sünkel |
| author_facet | Christian Klein-Heßling Karlheinz Sünkel |
| author_sort | Christian Klein-Heßling |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-03d5d335881448ffa6fe5bc5a06b42e6 |
| institution | Kabale University |
| issn | 2304-6740 |
| language | English |
| publishDate | 2024-11-01 |
| publisher | MDPI AG |
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| series | Inorganics |
| spelling | doaj-art-03d5d335881448ffa6fe5bc5a06b42e62024-12-27T14:31:02ZengMDPI AGInorganics2304-67402024-11-01121230510.3390/inorganics12120305Hydrogen 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> = 1–5Christian Klein-Heßling0Karlheinz Sünkel1Department Chemistry, Ludwig-Maximilians University Munich, Butenandtstr. 5-13, 81377 Munich, GermanyDepartment Chemistry, Ludwig-Maximilians University Munich, Butenandtstr. 5-13, 81377 Munich, GermanyIn 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.https://www.mdpi.com/2304-6740/12/12/305hydrogen bondhalogen bondiodocymantrenenon-covalent interactionsHirshfeld analysis |
| spellingShingle | Christian Klein-Heßling Karlheinz Sünkel 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 Inorganics hydrogen bond halogen bond iodocymantrene non-covalent interactions Hirshfeld analysis |
| title | 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 |
| title_full | 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 |
| title_fullStr | 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 |
| title_full_unstemmed | 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 |
| title_short | 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 |
| title_sort | 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 |
| topic | hydrogen bond halogen bond iodocymantrene non-covalent interactions Hirshfeld analysis |
| url | https://www.mdpi.com/2304-6740/12/12/305 |
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