Cardiff University | Prifysgol Caerdydd ORCA
Online Research @ Cardiff 
WelshClear Cookie - decide language by browser settings

Discrimination of geometrical epoxide isomers by ENDOR spectroscopy and DFT calculations: the role of hydrogen bonds

Murphy, Damien Martin ORCID: https://orcid.org/0000-0002-5941-4879, Fallis, Ian Andrew ORCID: https://orcid.org/0000-0001-7361-0182, Willock, David James ORCID: https://orcid.org/0000-0002-8893-1090, Landon, James Hugh, Carter, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Vinck, Evi 2008. Discrimination of geometrical epoxide isomers by ENDOR spectroscopy and DFT calculations: the role of hydrogen bonds. Angewandte Chemie. International Edition 47 (8) , pp. 1414-1416. 10.1002/anie.200703537

Full text not available from this repository.

Abstract

EPR and ENDOR spectroscopies combined with DFT calculations have revealed the selective binding of a cis over a trans epoxide to a chiral vanadyl salen complex (see picture). Complementary DFT calculations identified a weak electrostatic interaction supplemented by multiple hydrogen-bonding contacts as the origins of this selectivity. These observations were experimentally confirmed in frozen solution by orientation selective ENDOR measurements.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Cardiff Catalysis Institute (CCI)
Chemistry
Subjects: Q Science > QD Chemistry
Uncontrolled Keywords: chirality; density functional calculations; ENDOR spectroscopy; epoxides; EPR spectroscopy
Publisher: Wiley-Blackwell
ISSN: 1433-7851
Last Modified: 17 Oct 2022 09:53
URI: https://orca.cardiff.ac.uk/id/eprint/6076

Citation Data

Cited 12 times in Scopus. View in Scopus. Powered By Scopus® Data

Actions (repository staff only)

Edit Item Edit Item