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Synthesis, characterisation and dynamic behavior of photoactive bipyridyl ruthenium(II)-nicotinamide complexes
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Smith, Nichola A., Zhang, Pingyu, Salassa, Luca, Habtemariam, Abraha and Sadler, P. J. (2017) Synthesis, characterisation and dynamic behavior of photoactive bipyridyl ruthenium(II)-nicotinamide complexes. Inorganica Chimica Acta, 454 . pp. 240-246. doi:10.1016/j.ica.2016.06.014 ISSN 00201693.
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Official URL: http://dx.doi.org/10.1016/j.ica.2016.06.014
Abstract
The synthesis, characterization and dynamic behavior of three complexes, cis-[Ru(bpy)2(NA)Cl][PF6] (1), cis-[Ru(bpy)2(NA)I][PF6] (2) and cis-[Ru(bpy)2(NA)2][PF6]2 (3), where bpy is 2,2′-bipyridine, NA is nicotinamide are reported. These were designed as potential photoactivated antibacterial agents. Their dynamic behavior in solution was explored using NMR to probe the presence of atropisomers. The data show that the NA ligand in the bis-NA complex 3 rotates freely at 298 K on the NMR timescale; however, NA rotation in the mono-Cl and mono-I complexes 1 and 2 is hindered at the same temperature. DFT calculations suggested that this hindered rotation is due to hydrogen bonding between the NA protons closest to the nitrogen of the pyridine ring and the halide ligand. Interestingly Cl hinders rotation more than I, which corresponds to hydrogen bonding ability. Such dynamic behavior may influence the recognition of polypyridyl ruthenium drugs by biological targets.
| Item Type: | Journal Article | ||||||||
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| Subjects: | Q Science > QP Physiology R Medicine > RM Therapeutics. Pharmacology |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||||||
| Library of Congress Subject Headings (LCSH): | Antibacterial agents, Nicotinamide, Density functionals, Nuclear magnetic resonance | ||||||||
| Journal or Publication Title: | Inorganica Chimica Acta | ||||||||
| Publisher: | Elsevier BV | ||||||||
| ISSN: | 00201693 | ||||||||
| Official Date: | 1 January 2017 | ||||||||
| Dates: |
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| Volume: | 454 | ||||||||
| Page Range: | pp. 240-246 | ||||||||
| DOI: | 10.1016/j.ica.2016.06.014 | ||||||||
| Status: | Peer Reviewed | ||||||||
| Publication Status: | Published | ||||||||
| Access rights to Published version: | Open Access (Creative Commons) | ||||||||
| Date of first compliant deposit: | 10 January 2017 | ||||||||
| Date of first compliant Open Access: | 11 January 2017 | ||||||||
| Funder: | European Research Council (ERC), Engineering and Physical Sciences Research Council (EPSRC), Spain. Ministerio de Economía y Competitividad [Ministry of Economy and Competitiveness] (MINECO), Spain. Instituto de Ciencias Matemáticas (ICMAT), Marie Curie Integration Grant | ||||||||
| Grant number: | Grant no. 247450 (ERC), Grant no. EP/F034210 (EPSRC), Grant CTQ2012-39315 (MINECO), RYC-2011-07787 (ICMAT), Grant no. 321791 (Marie Curie Integration Grant) | ||||||||
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