Carbon monoxide-releasing properties and DFT/TDDFT analysis of

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, E, Koc, S, Demir, S, Ozdemir, I
Language:unknown
Published: 2016
Subjects:
Orca
Online Access:http://hdl.handle.net/11616/26105
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. C1 [Ustun, Elvan; Koc, Sefika] Ordu Univ, Fac Art & Sci, Dept Chem, TR-52200 Ordu, Turkey. [Demir, Serpil; Ozdemir, Ismail] Inonu Univ, Fac Sci, Dept Chem, TR-44280 Malatya, Turkey.

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