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|Title:||Tuning the tripodal rotational barrier in η6- chromiumtricarbonyl heteroarenes – A step towards torsional switches|
|Keywords:||Tripodal rotational barrier;Tricarbonyl chromium complexes;Carbonyl complexes;Chromium;Boron;Phosphorus;Density functional calculations;Natural bond orbital analysis;Torsional switches|
|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.|
|Appears in Collections:||IJC-A Vol.56A(06) [June 2017]|
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