dc.contributor.author | Unver, H | |
dc.contributor.author | Kendi, E | |
dc.contributor.author | Guven, K | |
dc.contributor.author | Durlu, TN | |
dc.date.accessioned | 2020-06-25T17:35:02Z | |
dc.date.available | 2020-06-25T17:35:02Z | |
dc.date.issued | 2002 | |
dc.identifier.issn | 0932-0776 | |
dc.identifier.issn | 1865-7117 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12587/3001 | |
dc.description | Unver, Huseyin/0000-0003-3968-4385 | en_US |
dc.description | WOS: 000178049100015 | en_US |
dc.description.abstract | The new Schiff base ligand N-(2-fluoro-3-methoxy)-salicylaldimine (C14H12NO2F) (1) has been synthesised and studied by using, IR, H-1 NMR, C-13 NMR, UV-visible, GGMS techniques, X-ray structure analysis and AM1 semi-empirical quantum mechanical methods. Compound I crystallises in the orthorhombic space group P2(1)2(1)2(1) with a = 12.5461(1), b = 18.0495(1), c = 5.2615(1) Angstrom. An intramolecular hydrogen bond connects O1 and N1 [2.575(2) Angstrom], the hydrogen atom being bonded essentially to the oxygen atom. Minimum energy conformations were calculated as a function of two torsion angles theta(1) (C6-C7-C8-N1) and theta(2) (C7-C8-N1-C9), varied every 10 degrees. The optimized geometry of the crystal structure corresponding to the non-planar conformation is the most stable conformation in all calculations. The results strongly indicate that the minimum energy conformation is primarily determined by hydrogen-hydrogen repulsions between the ortho-hydrogen atoms on the aldehyde rings. Complementary IR, H-1 NMR and UV measurements in solution and in the solid state were carried out. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | Walter De Gruyter Gmbh | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | Schiff base | en_US |
dc.subject | conformational analysis | en_US |
dc.title | Synthesis, spectroscopic studies, crystal structure and conformation analysis of N-(2-fluoro-3-methoxy)-salicylaldimine | en_US |
dc.type | article | en_US |
dc.contributor.department | Kırıkkale Üniversitesi | en_US |
dc.identifier.volume | 57 | en_US |
dc.identifier.issue | 6 | en_US |
dc.identifier.startpage | 685 | en_US |
dc.identifier.endpage | 690 | en_US |
dc.relation.journal | Zeitschrift Fur Naturforschung Section B-A Journal Of Chemical Sciences | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |