Now showing items 1-10 of 18
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 ...
Matrix Isolation Infrared Spectra and Photochemistry of Hydantoin
(Amer Inst Physics, 2 Huntington Quadrangle, Ste 1No1, Melville, Ny 11747-4501 USA, 2013-01-31)
Hydantoin (C3H4N2O2, 2,4-imidazolidinedione) was isolated in argon matrix at 10 K and its infrared spectrum and unimolecular photochemistry were investigated. The molecular structure of the compound was studied both at the ...
Molecular Structure, Infrared Spectra, Photochemistry, and Thermal Properties of 1-Methylhydantoin
(Amer Chemical Soc, 1155 16Th St, Nw, Washington, Dc 20036 Usa, 2014-08-07)
The structural, vibrational, and photochemical study of 1-methylhydantoin (1-MM, C4H6N2O2) was undertaken by matrix isolation infrared spectroscopy (in argon matrix; 10 K), complemented by quantum chemical calculations ...
Structural and spectroscopic characterization of the second polymorph of 1-methylhydantoin
(Elsevier Science Bv, Po Box 211, 1000 AE Amsterdam, Netherlands, 2017-11-15)
In a previous study [Nogueira, B.A.; Ildiz, G.O.; Canotilho, J.; Eusebio, M. E. S.; Fausto, R. J. Phys. Chem. A, 2014, 118, 5994-6008], two different polymorphs of 1-methylhydantoin (1-MH, C4H6N2O2) were identified using ...
Near-infrared in situ generation of the higher-energy trans conformer of tribromoacetic acid: Observation of a large-scale matrix-site changing mediated by conformational conversion
(Amer Inst Physics, 1305 Walt Whitman Rd, Ste 300, Melville, Ny 11747-4501 USA, 2018-01-28)
The first observation of the higher-energy conformer of tribromoacetic acid (trans-TBAA) is reported. The conformer was produced in cryogenic matrices (Ar, Kr, and N-2) by in situ selective narrowband near-infrared excitation ...
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 ...
5-Methylhydantoin: from isolated molecules in a low-temperature argon matrix to solid state polymorphs characterization
(Amer Chemical Soc, 1155 16th St, Nw, Washington, Dc 20036 USA, 2017-07-20)
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)
UV-lnduced Transformations of 3-Chloro-4-methoxy-benzaldehyde in Low-Temperature Matrices
Halogen- and methoxy-substituted benzaldehydes are relevant compounds in various fields, from fragrance industry to agrochemicals or drugs manufacturing [1,2], In the present study, 3-chloro-4-methoxy-benzaldehyde (3CMBA; ...