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Tuning the tripodal rotational barrier in η<sup>6</sup>- chromiumtricarbonyl heteroarenes – A step towards torsional switches<br />

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Title Statement Tuning the tripodal rotational barrier in η<sup>6</sup>- chromiumtricarbonyl heteroarenes – A step towards torsional switches<br />
 
Added Entry - Uncontrolled Name Ayaavoo, Kalpana ; Department of Chemistry, Sri Sarada College for Women, Salem 636 016, Tamil Nadu, India
Lakshminarayanan, Akilandeswari ; Department of Chemistry, Sri Sarada College for Women, Salem 636 016, Tamil Nadu, India
UGC
 
Uncontrolled Index Term theoretical and computational chemistry
Tripodal rotational barrier, Tricarbonyl chromium complexes, Carbonyl complexes, Chromium, Boron, Phosphorus, Density functional calculations, Natural bond orbital analysis, Torsional switches
 
Summary, etc. The current work focuses on manifold magnification of tripodal rotational barrier of Cr(CO)<sub>3</sub> 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)<sub>3</sub> in arene moiety. Insights obtained by density functional studies are supported by natural bond orbital analysis.
 
Publication, Distribution, Etc. Indian Journal of Chemistry -Section A (IJCA)
2020-11-06 10:07:37
 
Electronic Location and Access application/pdf
http://op.niscair.res.in/index.php/IJCA/article/view/15193
 
Data Source Entry Indian Journal of Chemistry -Section A (IJCA); ##issue.vol## 56, ##issue.no## 6 (2017): INDIAN JOURNAL OF CHEMISTRY - SECTION A
 
Language Note en
 
Nonspecific Relationship Entry http://op.niscair.res.in/index.php/IJCA/article/download/15193/45321
http://op.niscair.res.in/index.php/IJCA/article/download/15193/45429
http://op.niscair.res.in/index.php/IJCA/article/download/15193/45430
 
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