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Title: Utilizing bifurcated halogen-bonding interactions with the uranyl oxo group in the assembly of a UO 2 –3-bromo-5-iodobenzoic acid coordination polymer

Abstract

The synthesis and crystal structure of a new uranyl coordination polymer featuring 3-bromo-5-iodobenzoic acid is described and the luminescent and vibrational properties of the material have been explored. Compound (1), [UO 2(C 7H 3BrIO 2) 2] n, features dimeric uranyl units chelated and then linked by 3-bromo-5-iodobenzoic acid ligands to form a one-dimensional coordination polymer that is subsequently assembledviabifurcated halogen-bonding interactions with uranyl oxo atoms to form a supramolecular three-dimensional network. The asymmetric, bifurcated halogen-bonding interaction in (1) is notable as it represents the first observation of this synthon in a uranyl hybrid material. Raman and IR spectroscopy showed that halogen-bonding interactions with the uranyl oxo atoms result in small shifts in υ 1and υ 3frequencies, whereas luminescence spectra collected at an excitation wavelength of 420 nm reveal partially resolved uranyl emission.

Authors:
; ;
Publication Date:
Research Org.:
Univ. of Notre Dame, IN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1536590
DOE Contract Number:  
SC0001089
Resource Type:
Journal Article
Journal Name:
Acta Crystallographica. Section B, Structural Science, Crystal Engineering and Materials (Online)
Additional Journal Information:
Journal Volume: 73; Journal Issue: 2; Journal ID: ISSN 2052-5206
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
Chemistry; Crystallography

Citation Formats

Kalaj, Mark, Carter, Korey P., and Cahill, Christopher L. Utilizing bifurcated halogen-bonding interactions with the uranyl oxo group in the assembly of a UO 2 –3-bromo-5-iodobenzoic acid coordination polymer. United States: N. p., 2017. Web. doi:10.1107/s2052520617001639.
Kalaj, Mark, Carter, Korey P., & Cahill, Christopher L. Utilizing bifurcated halogen-bonding interactions with the uranyl oxo group in the assembly of a UO 2 –3-bromo-5-iodobenzoic acid coordination polymer. United States. doi:10.1107/s2052520617001639.
Kalaj, Mark, Carter, Korey P., and Cahill, Christopher L. Wed . "Utilizing bifurcated halogen-bonding interactions with the uranyl oxo group in the assembly of a UO 2 –3-bromo-5-iodobenzoic acid coordination polymer". United States. doi:10.1107/s2052520617001639.
@article{osti_1536590,
title = {Utilizing bifurcated halogen-bonding interactions with the uranyl oxo group in the assembly of a UO 2 –3-bromo-5-iodobenzoic acid coordination polymer},
author = {Kalaj, Mark and Carter, Korey P. and Cahill, Christopher L.},
abstractNote = {The synthesis and crystal structure of a new uranyl coordination polymer featuring 3-bromo-5-iodobenzoic acid is described and the luminescent and vibrational properties of the material have been explored. Compound (1), [UO2(C7H3BrIO2)2]n, features dimeric uranyl units chelated and then linked by 3-bromo-5-iodobenzoic acid ligands to form a one-dimensional coordination polymer that is subsequently assembledviabifurcated halogen-bonding interactions with uranyl oxo atoms to form a supramolecular three-dimensional network. The asymmetric, bifurcated halogen-bonding interaction in (1) is notable as it represents the first observation of this synthon in a uranyl hybrid material. Raman and IR spectroscopy showed that halogen-bonding interactions with the uranyl oxo atoms result in small shifts in υ1and υ3frequencies, whereas luminescence spectra collected at an excitation wavelength of 420 nm reveal partially resolved uranyl emission.},
doi = {10.1107/s2052520617001639},
journal = {Acta Crystallographica. Section B, Structural Science, Crystal Engineering and Materials (Online)},
issn = {2052-5206},
number = 2,
volume = 73,
place = {United States},
year = {2017},
month = {3}
}

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