Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study

Carter, Korey P.; Kalaj, Mark; Kerridge, Andrew; Cahill, Christopher L.

doi:10.1039/C8CE00682B

Title: Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study

Journal Article · 01 January 2018 · CrystEngComm

DOI: https://doi.org/10.1039/C8CE00682B · OSTI ID:1457463

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Department of Chemistry, The George Washington University, Washington, D.C. 20052, USA
Department of Chemistry, Lancaster University, Lancaster LA1 4YB, UK

Four uranyl compounds containing either benzoic acid ( 1 ), m -chlorobenzoic acid ( 2 ), m -bromobenzoic acid ( 3 ), or m -iodobenzoic acid ( 4 ) are described, and the latter two compounds are used to probe non-covalent interaction strengths via structural, vibrational, and computational means.

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-05ER15736

OSTI ID:: 1457463

Journal Information:: CrystEngComm, Journal Name: CrystEngComm Journal Issue: 34 Vol. 20; ISSN CRECF4; ISSN 1466-8033

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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