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Heterobimetallic Chromium Manganese Carbonyl Nitrosyls: Comparison with Isoelectronic Homometallic Binuclear Chromium Carbonyl Nitrosyls and Manganese Carbonyls
| Content Provider | Semantic Scholar |
|---|---|
| Author | Li, Guoliang Wen, Limei King, R. Bruce |
| Copyright Year | 2019 |
| Abstract | The heterometallic chromium-manganese carbonyl nitrosyls CrMn(NO)(CO)n (n = 9, 8) have been investigated by density functional theory. The lowest energy CrMn(NO)(CO)9 structures have unbridged staggered conformations with a ~2.99 A Cr–Mn single bond similar to the experimental and lowest energy structures of the isoelectronic Mn2(CO)10 and Cr2(NO)2(CO)8. A significantly higher energy CrMn(NO)(CO)9 isomer has a nearly symmetrical bridging nitrosyl group and a very weakly semibridging carbonyl group. The two lowest energy structures of the unsaturated CrMn(NO)(CO)8 have a five-electron donor bridging η2-µ-NO nitrosyl group or a four-electron donor bridging η2-µ-CO group, as well as a Cr–Mn single bond of length ~2.94 A. The next higher energy CrMn(NO)(CO)8 structure has exclusively terminal CO and NO ligands and a shorter Cr–Mn single bond of ~2.85 A, suggesting an 18-electron configuration for the manganese atom and a 16-electron configuration for the chromium atom indicated by a vacant coordination site nearly perpendicular to the Cr–Mn bond. |
| Starting Page | 127 |
| Ending Page | 127 |
| Page Count | 1 |
| File Format | PDF HTM / HTML |
| DOI | 10.3390/inorganics7100127 |
| Volume Number | 7 |
| Alternate Webpage(s) | https://res.mdpi.com/d_attachment/inorganics/inorganics-07-00127/article_deploy/inorganics-07-00127.pdf |
| Alternate Webpage(s) | https://doi.org/10.3390/inorganics7100127 |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
