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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Main Authors: Ustun, E, Koc, S, Demir, S, Ozdemir, I
Language:unknown
Published: 2016
Subjects:
Orca
Online Access:http://hdl.handle.net/11616/26105
id ftinonuuniv:oai:abakus.inonu.edu.tr:11616/26105
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spelling ftinonuuniv:oai:abakus.inonu.edu.tr:11616/26105 2023-05-15T17:53:41+02:00 Carbon monoxide-releasing properties and DFT/TDDFT analysis of [Mn(CO)(3)(bpy)L]PF6 type novel manganese complexes Ustun, E Koc, S Demir, S Ozdemir, I 2016 http://hdl.handle.net/11616/26105 unknown http://hdl.handle.net/11616/26105 JOURNAL OF ORGANOMETALLIC CHEMISTRY 2016 ftinonuuniv 2022-03-28T19:48:15Z 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. Other/Unknown Material Orca Unknown
institution Open Polar
collection Unknown
op_collection_id ftinonuuniv
language unknown
description 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.
author Ustun, E
Koc, S
Demir, S
Ozdemir, I
spellingShingle Ustun, E
Koc, S
Demir, S
Ozdemir, I
Carbon monoxide-releasing properties and DFT/TDDFT analysis of
author_facet Ustun, E
Koc, S
Demir, S
Ozdemir, I
author_sort Ustun, E
title Carbon monoxide-releasing properties and DFT/TDDFT analysis of
title_short Carbon monoxide-releasing properties and DFT/TDDFT analysis of
title_full Carbon monoxide-releasing properties and DFT/TDDFT analysis of
title_fullStr Carbon monoxide-releasing properties and DFT/TDDFT analysis of
title_full_unstemmed Carbon monoxide-releasing properties and DFT/TDDFT analysis of
title_sort carbon monoxide-releasing properties and dft/tddft analysis of
publishDate 2016
url http://hdl.handle.net/11616/26105
genre Orca
genre_facet Orca
op_source JOURNAL OF ORGANOMETALLIC CHEMISTRY
op_relation http://hdl.handle.net/11616/26105
_version_ 1766161385701507072

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