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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]

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