dc.contributor.author | Gunsel, Armagan | |
dc.contributor.author | Bilgich, Ahmet T. | |
dc.contributor.author | Piskin, Hasan | |
dc.contributor.author | Tuzun, Burak | |
dc.contributor.author | Delibas, Nagihan Caylak | |
dc.contributor.author | Yarasir, M. Nilufer | |
dc.contributor.author | Gunduz, Bayram | |
dc.date.accessioned | 2019-07-27T12:10:23Z | |
dc.date.accessioned | 2019-07-28T09:36:59Z | |
dc.date.available | 2019-07-27T12:10:23Z | |
dc.date.available | 2019-07-28T09:36:59Z | |
dc.date.issued | 2019 | |
dc.identifier.issn | 0022-2860 | |
dc.identifier.issn | 1872-8014 | |
dc.identifier.uri | https://dx.doi.org/10.1016/j.molstruc.2019.05.045 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12418/5846 | |
dc.description | WOS: 000471652700028 | en_US |
dc.description.abstract | We synthesized and characterized the non-peripherally and peripherally tetra-substituted manganese (III) phthalocyanines (3) and (4) containing [4-(2-methoxyethyl)phenoxy] group. Synthesized compounds were characterized by standard spectroscopy methods. The crystallographic information and stabilization dynamics of supramolecular structure of intended compound (2) have been revealed by the analysis of single-crystal X-ray diffraction measurements. The optical, sensing, conductance and electrical properties were investigated. The absorption band edge values of the (MnClPc)-Cl-III (3) are lower than that of the (MnClPc)-Cl-III (4). The optical band gaps of the (MnClPc)-Cl-III (3) and (MnClPc)-Cl-III (4) display direct allowed optical band gap and semiconductor behaviour. The refractive indices of the functional manganese(III) phthalocyanine compounds give significant results for preparation of diodes and sensor devices. The surface morphological properties of the (MnClPc)-Cl-III (3) and (4) films were investigated under different conditions. Finally, quantum chemical parameters of the synthesized compounds were calculated using quantum chemical calculations. The calculated Infrared spectroscopy, Nuclear Magnetic Resonance, and UV-Vis spectra of all compounds were investigated and the obtained parameters were compared with experimental values. (C) 2019 Elsevier B.V. All rights reserved. | en_US |
dc.description.sponsorship | Research Fund of Sakarya University [BAP-2017-02-04-013] | en_US |
dc.description.sponsorship | We thank The Research Fund of Sakarya University (Project no: BAP-2017-02-04-013). This research was made possible by TUBI-TAK ULAKBIM, High Performance and Grid Computing Centre (TR-Grid e-Infrastructure). | en_US |
dc.language.iso | eng | en_US |
dc.publisher | ELSEVIER SCIENCE BV | en_US |
dc.relation.isversionof | 10.1016/j.molstruc.2019.05.045 | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | Phthalocyanine | en_US |
dc.subject | Crystal structure | en_US |
dc.subject | Surface morphology | en_US |
dc.subject | Electrical conductance | en_US |
dc.subject | Density functional theory (DFT) | en_US |
dc.title | Comparison of spectroscopic, electronic, theoretical, optical and surface morphological properties of functional manganese(III) phthalocyanine compounds for various conditions | en_US |
dc.type | article | en_US |
dc.relation.journal | JOURNAL OF MOLECULAR STRUCTURE | en_US |
dc.contributor.department | [Gunsel, Armagan -- Bilgich, Ahmet T. -- Yarasir, M. Nilufer] Sakarya Univ, Dept Chem, TR-54187 Esentepe, Sakarya, Turkey -- [Piskin, Hasan] Gebze Tech Univ, Dept Phys, TR-41400 Kocaeli, Turkey -- [Tuzun, Burak] Cumhuriyet Univ, Dept Chem, TR-58140 Sivas, Turkey -- [Delibas, Nagihan Caylak] Sakarya Univ, Dept Phys, TR-54187 Esentepe, Sakarya, Turkey -- [Gunduz, Bayram] Mus Alparslan Univ, Fac Educ, Dept Sci Educ, TR-49250 Mus, Turkey | en_US |
dc.contributor.authorID | BILGICLI, Ahmet Turgut -- 0000-0002-4144-7357; GUNSEL, ARMAGAN -- 0000-0003-1965-1017 | en_US |
dc.identifier.volume | 1193 | en_US |
dc.identifier.endpage | 264 | en_US |
dc.identifier.startpage | 247 | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |