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

Please use this identifier to cite or link to this item: http://earsiv.odu.edu.tr:8080/xmlui/handle/11489/2539

Title:	Carbon monoxide-releasing properties and DFT/TDDFT analysis of [Mn(CO)(3)(bpy)L]PF6 type novel manganese complexes
Authors:	Demir, Serpil Koc, Sefika Ozdemir, Ismail Ustun, Elvan Ordu Üniversitesi 0000-0001-6325-0216 0000-0001-8765-4039 0000-0002-0587-7261 0000-0002-0587-7261
Keywords:	CO-releasing molecules; Photocorms; Imidazoline; Manganese; DFT/TDDFT; Metal carbonyl complexes METAL-CARBONYLS; BASIS-SETS; CO-RMS; MOLECULES; LIGANDS; DERIVATIVES; STABILITY; TOXICITY; DESIGN; MO
Issue Date:	2016
Publisher:	ELSEVIER SCIENCE SA, PO BOX 564, 1001 LAUSANNE, SWITZERLAND
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.
URI:	http://doi.org/10.1016/j.jorganchem.2016.05.001 https://www.sciencedirect.com/science/article/pii/S0022328X16301760?via%3Dihub http://earsiv.odu.edu.tr:8080/xmlui/handle/11489/2539
Appears in Collections:	Kimya

Files in This Item:

There are no files associated with this item.