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

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.
Authors:
ORCiD logo [1] ; ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [1]
  1. Department of Chemistry, The George Washington University, Washington, D.C. 20052, USA
  2. Department of Chemistry, Lancaster University, Lancaster LA1 4YB, UK
Publication Date:
Grant/Contract Number:
FG02-05ER15736
Type:
Publisher's Accepted Manuscript
Journal Name:
CrystEngComm
Additional Journal Information:
Journal Name: CrystEngComm Journal Volume: 20 Journal Issue: 34; Journal ID: ISSN 1466-8033
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1457463

Carter, Korey P., Kalaj, Mark, Kerridge, Andrew, and Cahill, Christopher L.. Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study. United Kingdom: N. p., Web. doi:10.1039/C8CE00682B.
Carter, Korey P., Kalaj, Mark, Kerridge, Andrew, & Cahill, Christopher L.. Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study. United Kingdom. doi:10.1039/C8CE00682B.
Carter, Korey P., Kalaj, Mark, Kerridge, Andrew, and Cahill, Christopher L.. 2018. "Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study". United Kingdom. doi:10.1039/C8CE00682B.
@article{osti_1457463,
title = {Probing hydrogen and halogen-oxo interactions in uranyl coordination polymers: a combined crystallographic and computational study},
author = {Carter, Korey P. and Kalaj, Mark and Kerridge, Andrew and Cahill, Christopher L.},
abstractNote = {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.},
doi = {10.1039/C8CE00682B},
journal = {CrystEngComm},
number = 34,
volume = 20,
place = {United Kingdom},
year = {2018},
month = {1}
}

Works referenced in this record:

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