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http://nopr.niscpr.res.in/handle/123456789/42315| Title: | Tuning the tripodal rotational barrier in η6- chromiumtricarbonyl heteroarenes – A step towards torsional switches |
| Authors: | Kalpana, A Akilandeswari, L |
| Keywords: | Tripodal rotational barrier;Tricarbonyl chromium complexes;Carbonyl complexes;Chromium;Boron;Phosphorus;Density functional calculations;Natural bond orbital analysis;Torsional switches |
| Issue Date: | Jun-2017 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | The current work focuses on manifold magnification of tripodal rotational barrier of Cr(CO)3 which is haptotropically bound to the arene ring with variety of hetero substitution (boron/phosphorus). The study shows that the differential electronegativities of boron and phosphorus can be harnessed to manipulate the torsional barrier, enabling hundred 200-fold enhancement of barrier to nearly free tripodal rotation of Cr(CO)3 in arene moiety. Insights obtained by density functional studies are supported by natural bond orbital analysis. |
| Page(s): | 610-615 |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Appears in Collections: | IJC-A Vol.56A(06) [June 2017] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 56A(6) 610-615.pdf | 163.36 kB | Adobe PDF | View/Open |
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