Search results for "Deute"
showing 10 items of 549 documents
CCDC 787114: Experimental Crystal Structure Determination
2011
Related Article: R.Gheorge, M.Kalisz, R.Clerac, C.Mathoniere, P.Herson, Yanling Li, M.Seuleiman, R.Lescouezec, F.Lloret, M.Julve|2010|Inorg.Chem.|49|11045|doi:10.1021/ic1015725
CCDC 1555246: Experimental Crystal Structure Determination
2017
Related Article: Riia Annala, Aku Suhonen, Heikki Laakkonen, Perttu Permi, Maija Nissinen|2017|Chem.-Eur.J.|23|16671|doi:10.1002/chem.201703985
CCDC 708233: Experimental Crystal Structure Determination
2009
Related Article: C.Bonnot, J.-C.Chambron, E.Espinosa, K.Bernauer, U.Scholten, R.Graff|2008|J.Org.Chem.|73|7871|doi:10.1021/jo801438d
Gas-phase detection of HSOD and empirical equilibrium structure of oxadisulfane
2006
We present the first gas phase spectra of singly deuterated oxadisulfane, HSOD, in its vibrational ground state. More than 100 transitions have been recorded with highest frequency accuracy using the Cologne Terahertz Spectrometer. The molecular parameters derived from a least squares fit analysis proof HSOD to be an almost accidental symmetric prolate top molecule with an asymmetry parameter kZK0.9985. Spectra of c-type and weaker b-type transitions have been recorded in the range from 716 to 772 GHz. The ratio of the dipole moments mc/mbZ2.4(3) has been derived from measured line intensities. The c-type transitions are split by the tunneling motion of a hindered internal rotation, whereas…
"Expanded" local mode approach and isotopic effect in polyatomic molecules
2014
In this thesis, on the base of the "expanded", local mode approach and general isotopic substitution theory we obtain sets of simple analytical relations between spectroscopic parameters (harmonic frequencies, anharmonic coefficients, ro-vibrational parameters, different kinds of Fermi and Coriolis-type interaction parameters) of the CH2D2, CH3D and CHD3 molecules. All of them are expressed as simple functions of spectroscopic parameters of the mother CH4 molecule. Test calculations with the isotopic relations show that even without including prior informations about the isotopic species, numerical results of calculations are in a good agreement both with experimental data and results of ab…
Correlation of primary relaxations and high-frequency modes in supercooled liquids. II. Evidence from spin-lattice relaxation weighted stimulated-ech…
2006
Using spin-lattice relaxation weighted stimulated-echo spectroscopy, we report evidence for a correlation of the primary and secondary relaxation times. The experiments are performed using deuteron nuclear magnetic resonance somewhat above the calorimetric glass-transition of ortho-terphenyl, D-sorbitol, and cresolphthalein-dimethylether. The data analysis is based on the procedure outlined in the accompanying theoretical paper [B. Geil, G. Diezemann, and R. B\"ohmer, Phys. Rev. E 74, 041504 (2006)]. Direct experimental evidence for a modified spin-lattice relaxation is obtained from measurements on a methyl deuterated acetyl salicylic acid glass. The limitations of the present experimental…
Synthesis of bodinieric acids A and B, both C-18 and C-19-functionalized abietane diterpenoids: DFT study of the key aldol reaction
2020
[EN] The first synthesis of C-18- and C-19-bifunctionalized abietane diterpenoids, bodinieric (or callicapoic) acids, via an aldol reaction has been developed. This key aldol reaction was very sensitive to steric hindrance. This fact has been studied by deuterium exchange experiments and DFT methods. Optimization of this reaction led to the synthesis of anti-inflammatory bodinieric acids A and B, starting from abietic acid
Effect of zero-point motion on the superconducting transition temperature of PdH(D)
1984
Using self-consistent density functional formalism we show that the electronic structure of PdH(D) is influenced by the zero-point vibration of hydrogen and deuterium. This quantum effect makes a small but significant contribution to the superconducting transition temperature ${T}_{c}$ of PdH(D). The reverse isotope effect on ${T}_{c}$ is found to be dominated by the changes in the force constants between PdH and PdD.
Hydrogen and Deuterium Incorporation in ZnO Films Grown by Atomic Layer Deposition
2021
Zinc oxide (ZnO) thin films were grown by atomic layer deposition using diethylzinc (DEZ) and water. In addition to depositions with normal water, heavy water (2H2O) was used in order to study the reaction mechanisms and the hydrogen incorporation at different deposition temperatures from 30 to 200 °C. The total hydrogen concentration in the films was found to increase as the deposition temperature decreased. When the deposition temperature decreased close to room temperature, the main source of impurity in hydrogen changed from 1H to 2H. A sufficiently long purging time changed the main hydrogen isotope incorporated in the film back to 1H. A multiple short pulse scheme was used to study th…
Chromatographic and mass spectrometric characteristics of 20-dihydroaldosterone.
1992
The 20 alpha-reduced derivative of aldosterone, 20 alpha-dihydroaldosterone, was needed as reference compound in order to continue the studies on 18-hydroxylation in the Y-1 adrenal cell line. It was obtained by reduction of aldosterone with sodium borohydride. Analysis of the products of the reaction as methoxime trimethylsilyl (MO-TMS) derivatives by gas chromatography (GC) and GC-mass spectrometry (GC-MS) showed three possible forms of the compound. Their identification was confirmed by comparison with the products obtained by stereospecific reduction of aldosterone using 3 alpha,20 beta-hydroxysteroid dehydrogenase. Chromatographic behavior and mass spectra are given for the three forms…