Evidence of IR-Induced Chemistry in a Neat Solid: Tautomerization of Thiotropolone by Thermal, Electronic, and Vibrational Excitations

2021 ◽  
Author(s):  
Nelson A. M. Pereira ◽  
Cláudio M. Nunes ◽  
Igor Reva ◽  
Rui Fausto
Keyword(s):  
Vibrational Excitations

scholarly journals Vibrational resonant inelastic X-ray scattering in liquid acetic acid: a ruler for molecular chain lengths

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Viktoriia Savchenko ◽  
Iulia Emilia Brumboiu ◽  
Victor Kimberg ◽  
Michael Odelius ◽  
Pavel Krasnov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Acetic Acid ◽  
Molecular Chain ◽  
X Ray ◽  
X Ray Scattering ◽  
Localized Excitations ◽  
Vibrational Excitations ◽  
Chain Lengths ◽  
X Ray Absorption ◽  
Ray Scattering

AbstractQuenching of vibrational excitations in resonant inelastic X-ray scattering (RIXS) spectra of liquid acetic acid is observed. At the oxygen core resonance associated with localized excitations at the O–H bond, the spectra lack the typical progression of vibrational excitations observed in RIXS spectra of comparable systems. We interpret this phenomenon as due to strong rehybridization of the unoccupied molecular orbitals as a result of hydrogen bonding, which however cannot be observed in x-ray absorption but only by means of RIXS. This allows us to address the molecular structure of the liquid, and to determine a lower limit for the average molecular chain length.

The symmetric C-D stretching spectator mode in the H+CHD3→H2+CD3 reaction and its effect on dynamical modeling

2021 ◽  
Author(s):  
Bin Zhao
Keyword(s):  
Transition State ◽  
Quantum Transition ◽  
Dynamical Modeling ◽  
Vibrational Excitations

The symmetric C-D stretching mode is a spectator mode in the H+CHD3→H2+CD3 reaction. Effects of multiple vibrational excitations of the CHD3 reactant are studied with the quantum transition-state (QTS) framework...

Transport of vibrational excitations in anharmonic lattices

1998 ◽  
Vol 76-77 ◽  
pp. 575-580
Author(s):  
Dmitri Nevedrov
Keyword(s):  
Vibrational Excitations

Erratum: Vibrational excitations ofAs2O3. I. Disordered phases

1976 ◽  
Vol 14 (4) ◽  
pp. 1781-1781
Author(s):  
G. N. Papatheodorou ◽  
S. A. Solin
Keyword(s):  
Vibrational Excitations

scholarly journals Investigations of heme distortion, low-frequency vibrational excitations, and electron transfer in cytochrome c

2014 ◽  
Vol 111 (18) ◽  
pp. 6570-6575 ◽  
Author(s):  
Y. Sun ◽  
A. Benabbas ◽  
W. Zeng ◽  
J. G. Kleingardner ◽  
K. L. Bren ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Cytochrome C ◽  
Low Frequency ◽  
Vibrational Excitations ◽  
Heme Distortion

Modeling quantum vibrational excitations in condensed-phase molecular systems

2011 ◽  
Vol 129 (1) ◽  
pp. 31-43 ◽  
Author(s):  
Andrea Amadei ◽  
Isabella Daidone ◽  
Laura Zanetti-Polzi ◽  
Massimiliano Aschi
Keyword(s):  
Condensed Phase ◽  
Molecular Systems ◽  
Vibrational Excitations

Pure Vibrational Excitations

1983 ◽  
pp. 53-85
Author(s):  
Jan Van Kranendonk
Keyword(s):  
Vibrational Excitations

scholarly journals Controlling Quantum Interferences in IR Vibrational Excitations in Metal Carbonyls

2013 ◽  
Vol 41 ◽  
pp. 05024 ◽  
Author(s):  
S. Ashihara ◽  
K. Enomoto ◽  
J. Tayama
Keyword(s):  
Metal Carbonyls ◽  
Vibrational Excitations
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