Please use this identifier to cite or link to this item: http://nopr.niscair.res.in/handle/123456789/42315
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dc.contributor.authorKalpana, A-
dc.contributor.authorAkilandeswari, L-
dc.date.accessioned2017-06-29T07:38:33Z-
dc.date.available2017-06-29T07:38:33Z-
dc.date.issued2017-06-
dc.identifier.issn0975-0975(Online); 0376-4710(Print)-
dc.identifier.urihttp://nopr.niscair.res.in/handle/123456789/42315-
dc.description610-615en_US
dc.description.abstractThe 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.en_US
dc.language.isoen_USen_US
dc.publisherNISCAIR-CSIR, Indiaen_US
dc.rights CC Attribution-Noncommercial-No Derivative Works 2.5 Indiaen_US
dc.sourceIJC-A Vol.56A(06) [June 2017]en_US
dc.subjectTripodal rotational barrieren_US
dc.subjectTricarbonyl chromium complexesen_US
dc.subjectCarbonyl complexesen_US
dc.subjectChromiumen_US
dc.subjectBoronen_US
dc.subjectPhosphorusen_US
dc.subjectDensity functional calculationsen_US
dc.subjectNatural bond orbital analysisen_US
dc.subjectTorsional switchesen_US
dc.titleTuning the tripodal rotational barrier in η6- chromiumtricarbonyl heteroarenes – A step towards torsional switchesen_US
dc.typeArticleen_US
Appears in Collections:IJC-A Vol.56A(06) [June 2017]

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