Now showing items 1-10 of 23
Experimental, Ab İnitio And Density Functional Theory Studies On Sulfadiazine
(Elsevier Science Bv, Po Box 211, 1000 Ae Amsterdam, Netherlands, 2009-04-30)
In the present study, combined experimental and computational study on molecular vibrations of free sulfadiazine has been reported. The theoretically possible stable conformers of free sulfadiazine molecule in electronically ...
FTIR Investigation Of The O-H Center Dot Center Dot Center Dot Xe Interaction In Simple Carboxylic Acids In Solid Xenon
(Amer Inst Physics, Circulation & Fulfillment Div, 2 Huntington Quadrangle, Ste 1 N O 1, Melville, Ny 11747-4501 USA, 2012-08-14)
The O-H stretching region of the infrared spectra of a series of carboxylic acids in Xe matrices was investigated as a function of temperature. Upon increasing the temperature, the vO-H band site-components undergo reversible ...
Micro-Raman, FTIR, SEM-EDX And Structural Analysis Of The Canakkale Meteorite
(Pergamon-Elsevier Science Ltd, The Boulevard, Langford Lane, Kidlington, Oxford Ox5 1Gb, England, 2012-06-15)
This study demonstrates for the first time, the spectroscopic characterization of Canakkale Meteorite that fell at Canakkale, Republic of Turkey (40 degrees 8'44 '' N; 26 degrees 24'23 '' E). The olivine group [(Mg, ...
FTIR investigation of the O H Xe interaction in simple carboxylic acids in solid xenon
The O–H stretching region of the infrared spectra of a series of carboxylic acids in Xe matrices was investigated as a function of temperature. Upon increasing the temperature, the νO–H band site-components undergo reversible ...
5-Methylhydantoin: From isolated molecules in a low-temperature Aaon matrix to solid state polymorphs characterization
The molecular structure, vibrational spectra and photochemistry of 5-methylhydantoin (C4H6N2O2; 5-MH) were studied by matrix isolation infrared spectroscopy and theoretical calculations at the DFT(B3LYP)/6-311++G(d,p) ...
Molecular spectroscopy and molecular structure - Selected communications presented at the 1st International Turkish Congress on Molecular Spectroscopy (TURCMOS 2013) Preface
(Pergamon-Elsevier Science Ltd, The Boulevard, Langford Lane, Kidlington, Oxford Ox5 1Gb, England, 2016-01-05)
Structure, spectroscopic properties and catalytic activity for epoxide ring-opening of nickel methylxanthate
The structure and spectroscopic properties of nickel methylxanthate, Ni(S2COCH3)2, as isolated molecule and in crystalline phase, were investigated both experimentally and theoretically. Experimentally, single crystal X-ray ...
Structural transformations of 3-fluoro and 3-fluoro-4-methoxy benzaldehydes under cryogenic conditions: A computational and low temperature infrared spectroscopy investigation
(Elsevier Science Bv, Po Box 211, 1000 AE Amsterdam, Netherlands, 2018-05-31)
Structural transformations of 3-fluorobenzaldehyde (C7H5FO, 3FBA) and 3-fluoro-4-methoxybenzaldehyde (C8H7FO2, 3F4MBA), taking place in different solid phase environments and at low temperature, were investigated by infrared ...
Thiabendazole and Thiabendazole-Formic Acid Solvate: A Computational, Crystallographic, Spectroscopic and Thermal Study
Thiabendazole (TBZ) is a substance which has been receiving multiple important applications in several domains, from medicine and pharmaceutical sciences, to agriculture and food industry. Here, a comprehensive multi-technique ...