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Conformations of (aryloxy)-lambda(3)-cyclotriphosphazanes. Single crystal X-ray structures of [EtNP(OR)](3) [R = C6H4Br-2 (CIS), C6H3Me2-2,6 (Trans)]

Thirupathi, N and Krishnamurthy, SS and Nethaji, M (1997) Conformations of (aryloxy)-lambda(3)-cyclotriphosphazanes. Single crystal X-ray structures of [EtNP(OR)](3) [R = C6H4Br-2 (CIS), C6H3Me2-2,6 (Trans)]. In: Phosphorus Sulfur And Silicon And The Related Elements, 123 . pp. 263-276.

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The reaction of the lambda(3)-cyclotriphosphazane, (EtNPCl)(3) with 2-bromo or 2-nitro phenol in the presence of diazabicyclooctane yields a cis-trans isomeric mixture of [EtNP(OC6H4X-2)](3) (X = Br or NO2) from which the cis-[EtNP(OC6H4Br-2)](3) or trans-[EtNP(OC6H4NO2-2)](3) is isolated in a pure state by fractional crystallisation. The two compounds have been characterised by elemental analysis and NMR (P-31, C-13, and H-1) spectroscopic data. Variable temperature (303-363 K) P-31 NMR studies on cis-[EtNP(OC6H4Br-2)](3) indicate its slow conversion to the trans-analogue with increasing temperature. The structure of cis-[EtNP(OC6H4Br-2)](3) and the previously known trans-[EtNP(OC6H3Me2-2,6)](3) have been determined by single crystal X-ray analysis. The six-membered P3N3 ring adopts a chair and a twist conformation in cis-[EtNP(OC6H3Br-2)](3) and trans-[EtNP(OC6H3Me2-2,6)](3) respectively. The structural features are compared with those observed for other lambda(3)-cyclotriphosphazanes.

Item Type: Journal Article
Publication: Phosphorus Sulfur And Silicon And The Related Elements
Publisher: Taylor and Francis Group
Additional Information: Copyright of this article belongs to Taylor and Francis Group.
Keywords: Lambda(3)-cyclotriphosphazanes;P3N3 ring conformation;negative hyperconjugation;C-H...X (X = O, Br) hydrogen bonds.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 01 Jun 2009 10:33
Last Modified: 19 Sep 2010 05:25
URI: http://eprints.iisc.ac.in/id/eprint/18736

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