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

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 spect...

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Bibliographic Details
Main Authors: Ustun, Elvan, Koc, Sefika, Demir, Serpil, Ozdemir, Ismail
Other Authors: İnönü Üniversitesi
Format: Article in Journal/Newspaper
Language:English
Published: Elsevıer scıence sa, po box 564, 1001 lausanne, swıtzerland 2016
Subjects:
Metal-carbonyls
basıs-sets
co-rms
molecules
lıgands
derıvatıves
stabılıty
toxıcıty
desıgn
mo
Orca
Online Access:http://hdl.handle.net/11616/13959
Description
Summary: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.

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