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    5-Benzyl-4-[3-(1H-imidazol-1-yl)propyl]-2H-1,2,4-triazol-3(4H)-ones: Synthesis, spectroscopic characterization, crystal structure and a comparison of theoretical and experimental IR results by DFT calculations
    (Elsevier, 2009) Unver, Yasemin; Sancak, Kemal; Tanak, Hasan; Degirmencioglu, Ismail; Dugdu, Esra; Er, Mustafa; Isik, Samil
    The synthesis and structural properties of novel compounds, 5-Benzyl-4-[3-(1H-imidazol-1-yl)propyl]-2H-1,2,4-triazol-3(4H)-ones (3a-c) have been described. These products were obtained by the reaction of ethyl 2-[1-ethoxy-2-(phenyl or substituted phenyl)ethylidene]hydrazinecarboxylates (1) and N-(3-aminopropyl)imidazol (2). The structures of compounds 3a-c have been inferred through UV-vis, IR, H-1/C-13 NMR, mass spectrometry, elemental analyses, and X-ray crystallography. DFT level 6-31G*(d,p) calculations provided structural information and IR data that were in good agreement with experimental results for compound 3a. Additionally, the electronic structure of compound 3a has been studied by DFT level 6-31G*(d,p) calculations using the X-ray data. (C) 2009 Elsevier B.V. All rights reserved.
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    Novel phthalocyanines containing substituted salicyclic hydrazone-1,3-thiazole moieties: Microwave-assisted synthesis, spectroscopic characterization, X-ray structure and thermal characterization
    (Elsevier Sci Ltd, 2010) Degirmencioglu, Ismail; Atalay, Esra; Er, Mustafa; Koysal, Yavuz; Isik, Samil; Serbest, Kerim
    Novel, metal-free and metallo(Cu, Co, Ni, Zn, Pb and Mn)phthalocyanine compounds were synthesized by exposure to microwave irradiation and the products purified. The newly prepared compounds were characterized using elemental analyses, IR, H-1/C-13 NMR, H-1-H-1 COSY measurements, MS, UV-vis spectroscopy and DTA/TG analysis. The electronic spectra exhibited an intense pi -> pi* transition with characteristic Q and B bands of the phthalocyanine core, as expected. All decomposition products obtained from DTA/TG analysis were identified: it was found that the thermal stability of each phthalocyanine compound followed the order: MnPc < Metal-free < ZnPc < PbPc < CuPc < CoPc < NiPc. (C) 2009 Elsevier Ltd. All rights reserved.