Determination of the Rotational Barrier in Ethane by Vibrational Spectroscopy and Statistical Thermodynamics

2005 ◽  
Vol 82 (11) ◽  
pp. 1703 ◽  
Author(s):  
Gianfranco Ercolani
Keyword(s):  
Vibrational Spectroscopy ◽  
Statistical Thermodynamics ◽  
Rotational Barrier

Determination of the Rotational Barrier for Kinetically Stable Conformational Isomers via NMR and 2D TLC

2007 ◽  
Vol 84 (9) ◽  
pp. 1499 ◽  
Author(s):  
Gregory T. Rushton ◽  
William G. Burns ◽  
Judi M. Lavin ◽  
Yong S. Chong ◽  
Perry Pellechia ◽  
...  
Keyword(s):  
Rotational Barrier ◽  
Conformational Isomers

Determination of G*G.cntdot.C triple-helix structure by molecular modeling and vibrational spectroscopy

1993 ◽  
Vol 115 (10) ◽  
pp. 4264-4270 ◽  
Author(s):  
Mohammed Ouali ◽  
Richard Letellier ◽  
Jian Sheng Sun ◽  
Alain Akhebat ◽  
Frederic Adnet ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Vibrational Spectroscopy ◽  
Triple Helix ◽  
Helix Structure

scholarly journals Facet-specific interaction between methanol and TiO2 probed by sum-frequency vibrational spectroscopy

2018 ◽  
Vol 115 (17) ◽  
pp. E3888-E3894 ◽  
Author(s):  
Deheng Yang ◽  
Yadong Li ◽  
Xinyi Liu ◽  
Yue Cao ◽  
Yi Gao ◽  
...  
Keyword(s):  
Vibrational Spectroscopy ◽  
Molecular Form ◽  
Specific Interaction ◽  
Fermi Resonance ◽  
Free Energies ◽  
Sum Frequency ◽  
Resonance Coupling ◽  
Bending Modes ◽  
Titanium Dioxides

The facet-specific interaction between molecules and crystalline catalysts, such as titanium dioxides (TiO2), has attracted much attention due to possible facet-dependent reactivity. Using surface-sensitive sum-frequency vibrational spectroscopy, we have studied how methanol interacts with different common facets of crystalline TiO2, including rutile(110), (001), (100), and anatase(101), under ambient temperature and pressure. We found that methanol adsorbs predominantly in the molecular form on all of the four surfaces, while spontaneous dissociation into methoxy occurs preferentially when these surfaces become defective. Extraction of Fermi resonance coupling between stretch and bending modes of the methyl group in analyzing adsorbed methanol spectra allows determination of the methanol adsorption isotherm. The isotherms obtained for the four surfaces are nearly the same, yielding two adsorbed Gibbs free energies associated with two different adsorption configurations singled out by ab initio calculations. They are (i) ∼−20 kJ/mol for methanol with its oxygen attached to a low-coordinated surface titanium, and (ii) ∼−5 kJ/mol for methanol hydrogen-bonded to a surface oxygen and a neighboring methanol molecule. Despite similar adsorption energetics, the Fermi resonance coupling strength for adsorbed methanol appears to depend sensitively on the surface facet and coverage.

Determination of Martian meteorite lithologies and mineralogies using vibrational spectroscopy

1997 ◽  
Vol 102 (E11) ◽  
pp. 25593-25603 ◽  
Author(s):  
Victoria E. Hamilton ◽  
Philip R. Christensen ◽  
Harry Y. McSween
Keyword(s):  
Vibrational Spectroscopy ◽  
Martian Meteorite

Determination of the CO3− bond strength via the resonant two-photon photodissociation threshold: Electronic and vibrational spectroscopy of CO3−∙Arn

2006 ◽  
Vol 124 (17) ◽  
pp. 174302 ◽  
Author(s):  
Joseph C. Bopp ◽  
Eric G. Diken ◽  
Jeffrey M. Headrick ◽  
Joseph R. Roscioli ◽  
Mark A. Johnson ◽  
...  
Keyword(s):  
Bond Strength ◽  
Vibrational Spectroscopy ◽  
Two Photon
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