A theoretical insight for solvent effect on myoglobin assay of

Novel tetracarbonyl complexes of type W(CO)(4)L-2 (L: 4-chlorobenzylimidazoline; 4-methylbenzylimidazoline; 3,5-dimethylbenzylimidazoline; 2,4,6-trimethylbenzylimidazoline; 2,3,5,6-tetramethylbenzylimidazoline) were synthesized. Then newly synthesized novel compounds were characterized by IR, H-1 NM...

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Main Authors: Ustun, E, Demir, S, Coskun, F, Kaloglu, M, Sahin, O, Buyukgungor, O, Ozdemir, I
Language:unknown
Published: 2016
Subjects:
Orca
Online Access:http://hdl.handle.net/11616/25914
id ftinonuuniv:oai:abakus.inonu.edu.tr:11616/25914
record_format openpolar
spelling ftinonuuniv:oai:abakus.inonu.edu.tr:11616/25914 2023-05-15T17:53:47+02:00 A theoretical insight for solvent effect on myoglobin assay of W(CO)(4)L-2 type novel complexes with DFT/TDDFT Ustun, E Demir, S Coskun, F Kaloglu, M Sahin, O Buyukgungor, O Ozdemir, I 2016 http://hdl.handle.net/11616/25914 unknown http://hdl.handle.net/11616/25914 JOURNAL OF MOLECULAR STRUCTURE 2016 ftinonuuniv 2022-03-28T19:50:00Z Novel tetracarbonyl complexes of type W(CO)(4)L-2 (L: 4-chlorobenzylimidazoline; 4-methylbenzylimidazoline; 3,5-dimethylbenzylimidazoline; 2,4,6-trimethylbenzylimidazoline; 2,3,5,6-tetramethylbenzylimidazoline) were synthesized. Then newly synthesized novel compounds were characterized by IR, H-1 NMR, C-13 NMR and LC-MS. The characterizations of two of the complexes have also been confirmed with single crystal X-Ray diffraction and OFT optimization results of these complexes have been compared with single crystal results. We have investigated the solvent effect on the structure and metal-to-ligand charge transfer (MLCT) transitions with OFT/TDDFT calculations with ORCA package program with BP86 functional. (C) 2016 Elsevier B.V. All rights reserved. C1 [Ustun, Elvan] Ordu Univ, Fac Art & Sci, Dept Chem, TR-52209 Ordu, Turkey. [Demir, Serpil; Coskun, Feyzullah; Kaloglu, Murat; Ozdemir, Ismail] Inonil Univ, Dept Chem, Fac Sci, TR-44280 Malatya, Turkey. [Sahin, Onur] Sinop Univ, Sci & Tech Res Applicat & Res Ctr, TR-57000 Sinop, Turkey. [Buyukgungor, Orhan] Ondokuz Mayis Univ, Dept Phys, TR-55139 Samsun, Turkey. Other/Unknown Material Orca Unknown
institution Open Polar
collection Unknown
op_collection_id ftinonuuniv
language unknown
description Novel tetracarbonyl complexes of type W(CO)(4)L-2 (L: 4-chlorobenzylimidazoline; 4-methylbenzylimidazoline; 3,5-dimethylbenzylimidazoline; 2,4,6-trimethylbenzylimidazoline; 2,3,5,6-tetramethylbenzylimidazoline) were synthesized. Then newly synthesized novel compounds were characterized by IR, H-1 NMR, C-13 NMR and LC-MS. The characterizations of two of the complexes have also been confirmed with single crystal X-Ray diffraction and OFT optimization results of these complexes have been compared with single crystal results. We have investigated the solvent effect on the structure and metal-to-ligand charge transfer (MLCT) transitions with OFT/TDDFT calculations with ORCA package program with BP86 functional. (C) 2016 Elsevier B.V. All rights reserved. C1 [Ustun, Elvan] Ordu Univ, Fac Art & Sci, Dept Chem, TR-52209 Ordu, Turkey. [Demir, Serpil; Coskun, Feyzullah; Kaloglu, Murat; Ozdemir, Ismail] Inonil Univ, Dept Chem, Fac Sci, TR-44280 Malatya, Turkey. [Sahin, Onur] Sinop Univ, Sci & Tech Res Applicat & Res Ctr, TR-57000 Sinop, Turkey. [Buyukgungor, Orhan] Ondokuz Mayis Univ, Dept Phys, TR-55139 Samsun, Turkey.
author Ustun, E
Demir, S
Coskun, F
Kaloglu, M
Sahin, O
Buyukgungor, O
Ozdemir, I
spellingShingle Ustun, E
Demir, S
Coskun, F
Kaloglu, M
Sahin, O
Buyukgungor, O
Ozdemir, I
A theoretical insight for solvent effect on myoglobin assay of
author_facet Ustun, E
Demir, S
Coskun, F
Kaloglu, M
Sahin, O
Buyukgungor, O
Ozdemir, I
author_sort Ustun, E
title A theoretical insight for solvent effect on myoglobin assay of
title_short A theoretical insight for solvent effect on myoglobin assay of
title_full A theoretical insight for solvent effect on myoglobin assay of
title_fullStr A theoretical insight for solvent effect on myoglobin assay of
title_full_unstemmed A theoretical insight for solvent effect on myoglobin assay of
title_sort theoretical insight for solvent effect on myoglobin assay of
publishDate 2016
url http://hdl.handle.net/11616/25914
genre Orca
genre_facet Orca
op_source JOURNAL OF MOLECULAR STRUCTURE
op_relation http://hdl.handle.net/11616/25914
_version_ 1766161493732098048

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