Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms
Abstract
Abstract Engaging the nominally terminal oxo atoms of the linear uranyl (UO 2 2+ ) cation in non‐covalent interactions represents both a significant challenge and opportunity within the field of actinide hybrid materials. An approach has been developed for promoting oxo atom participation in a range of non‐covalent interactions, through judicious choice of electron donating equatorial ligands and appropriately polarizable halogen‐donor atoms. As such, a family of uranyl hybrid materials was generated based on a combination of 2,5‐dihalobenzoic acid and aromatic, chelating N ‐donor ligands. Delineation of criteria for oxo participation in halogen bonding interactions has been achieved by preparing materials containing 2,5‐dichloro‐ (25diClBA) and 2,5‐dibromobenzoic acid (25diBrBA) coupled with 2,2′‐bipyridine (bipy) ( 1 and 2 ), 1,10‐phenanthroline (phen) ( 3 – 5 ), 2,2′:6′,2′′‐terpyridine (terpy) ( 6 – 8 ), or 4′‐chloro‐2,2′:6′,2′′‐terpyridine (Cl‐terpy) ( 9 – 10 ), which have been characterized through single crystal X‐ray diffraction, Raman, Infrared (IR), and luminescence spectroscopy, as well as through density functional calculations of electrostatic potentials. Looking comprehensively, these results are compared with recently published analogues featuring 2,5‐diiodobenzoic acid which indicate that although inclusion of a capping ligand in the uranyl first coordination sphere is important, it is the polarizability of themore »
- Authors:
-
[1];
[1]
- Department of Chemistry The George Washington University 800 22nd Street, NW Washington DC 20052 USA
- Department of Fundamental Chemistry Institute of Chemistry University of São Paulo P.O. Box 26077 São Paulo SP 05513-970 Brazil
- Department of Chemistry University at Buffalo State University of New York Buffalo NY 14260 USA
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1375062
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Chemistry - A European Journal
- Additional Journal Information:
- Journal Name: Chemistry - A European Journal Journal Volume: 23 Journal Issue: 61; Journal ID: ISSN 0947-6539
- Publisher:
- Wiley Blackwell (John Wiley & Sons)
- Country of Publication:
- Germany
- Language:
- English
Citation Formats
Carter, Korey P., Kalaj, Mark, Surbella, III, Robert G., Ducati, Lucas C., Autschbach, Jochen, and Cahill, Christopher L. Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms. Germany: N. p., 2017.
Web. doi:10.1002/chem.201702744.
Carter, Korey P., Kalaj, Mark, Surbella, III, Robert G., Ducati, Lucas C., Autschbach, Jochen, & Cahill, Christopher L. Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms. Germany. https://doi.org/10.1002/chem.201702744
Carter, Korey P., Kalaj, Mark, Surbella, III, Robert G., Ducati, Lucas C., Autschbach, Jochen, and Cahill, Christopher L. Tue .
"Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms". Germany. https://doi.org/10.1002/chem.201702744.
@article{osti_1375062,
title = {Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms},
author = {Carter, Korey P. and Kalaj, Mark and Surbella, III, Robert G. and Ducati, Lucas C. and Autschbach, Jochen and Cahill, Christopher L.},
abstractNote = {Abstract Engaging the nominally terminal oxo atoms of the linear uranyl (UO 2 2+ ) cation in non‐covalent interactions represents both a significant challenge and opportunity within the field of actinide hybrid materials. An approach has been developed for promoting oxo atom participation in a range of non‐covalent interactions, through judicious choice of electron donating equatorial ligands and appropriately polarizable halogen‐donor atoms. As such, a family of uranyl hybrid materials was generated based on a combination of 2,5‐dihalobenzoic acid and aromatic, chelating N ‐donor ligands. Delineation of criteria for oxo participation in halogen bonding interactions has been achieved by preparing materials containing 2,5‐dichloro‐ (25diClBA) and 2,5‐dibromobenzoic acid (25diBrBA) coupled with 2,2′‐bipyridine (bipy) ( 1 and 2 ), 1,10‐phenanthroline (phen) ( 3 – 5 ), 2,2′:6′,2′′‐terpyridine (terpy) ( 6 – 8 ), or 4′‐chloro‐2,2′:6′,2′′‐terpyridine (Cl‐terpy) ( 9 – 10 ), which have been characterized through single crystal X‐ray diffraction, Raman, Infrared (IR), and luminescence spectroscopy, as well as through density functional calculations of electrostatic potentials. Looking comprehensively, these results are compared with recently published analogues featuring 2,5‐diiodobenzoic acid which indicate that although inclusion of a capping ligand in the uranyl first coordination sphere is important, it is the polarizability of the selected halogen atom that ultimately drives halogen bonding interactions with the uranyl oxo atoms.},
doi = {10.1002/chem.201702744},
journal = {Chemistry - A European Journal},
number = 61,
volume = 23,
place = {Germany},
year = {Tue Aug 15 00:00:00 EDT 2017},
month = {Tue Aug 15 00:00:00 EDT 2017}
}
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