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Carbon monoxide-releasing properties and DFT/TDDFT analysis of [Mn(CO)(3)(bpy)L]PF6 type novel manganese complexes

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dc.contributor.author Demir, Serpil
dc.contributor.author Koc, Sefika
dc.contributor.author Ozdemir, Ismail
dc.contributor.author Ustun, Elvan
dc.date.accessioned 2022-08-17T06:42:14Z
dc.date.available 2022-08-17T06:42:14Z
dc.date.issued 2016
dc.identifier.uri http://doi.org/10.1016/j.jorganchem.2016.05.001
dc.identifier.uri https://www.sciencedirect.com/science/article/pii/S0022328X16301760?via%3Dihub
dc.identifier.uri http://earsiv.odu.edu.tr:8080/xmlui/handle/11489/2539
dc.description.abstract Novel manganese(I) carbonyl complexes of the general formula [Mn(CO)(3)(bpy)L]PF6 (bpy = 2,2-bipyridyl, L = N-(2-methylbenzyl)imidazoline, N-(3-methylbenzyl)imidazoline, N-(4-methylbenzyl)imidazoline, N-(2,4,6-trimethylbenzyl)imidazoline) were synthesized and characterized by analytical (LC-MS spectrometry and elemental analysis) and spectroscopic (H-1 NMR, C-13 NMR, cosy2D-NMR, infrared) methods. The CO-releasing properties of these complexes were investigated with myoglobin assay. The DFT/TDDFT calculations were made by ORCA package program with both BP86 and B3LYP functionals. (C) 2016 Elsevier B.V. All rights reserved. en_US
dc.language.iso eng en_US
dc.publisher ELSEVIER SCIENCE SA, PO BOX 564, 1001 LAUSANNE, SWITZERLAND en_US
dc.relation.isversionof 10.1016/j.jorganchem.2016.05.001 en_US
dc.rights info:eu-repo/semantics/openAccess en_US
dc.subject CO-releasing molecules; Photocorms; Imidazoline; Manganese; DFT/TDDFT; Metal carbonyl complexes en_US
dc.subject METAL-CARBONYLS; BASIS-SETS; CO-RMS; MOLECULES; LIGANDS; DERIVATIVES; STABILITY; TOXICITY; DESIGN; MO en_US
dc.title Carbon monoxide-releasing properties and DFT/TDDFT analysis of [Mn(CO)(3)(bpy)L]PF6 type novel manganese complexes en_US
dc.type article en_US
dc.relation.journal JOURNAL OF ORGANOMETALLIC CHEMISTRY en_US
dc.contributor.department Ordu Üniversitesi en_US
dc.contributor.authorID 0000-0001-6325-0216 en_US
dc.contributor.authorID 0000-0001-8765-4039 en_US
dc.contributor.authorID 0000-0002-0587-7261 en_US
dc.contributor.authorID 0000-0002-0587-7261 en_US
dc.identifier.volume 815-816 en_US
dc.identifier.startpage 16 en_US
dc.identifier.endpage 22 en_US


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