Concept
Vibronic spectroscopy
Related publications (158)
Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical Dynamics
Jiri Vanicek, Yannick Calvino Alonso, Eriks Kletnieks
Despite its simplicity, the single-trajectory thawed Gaussian approximation has proven useful for calculating the vibrationally resolved electronic spectra of molecules with weakly anharmonic potential energy surfaces. Here, we show that the thawed Gaussia ...
2023Charging and Electric Field Effects on Hydrogen Molecules Physisorbed on Graphene
Klaus Kern, Shai Mangel, Alessio Scavuzzo, Tobias Wollandt
Molecular hydrogen adsorbed on graphene was investigated by analyzing rotational excitation spectra obtained with a gate-tunable scanning tunneling microscope (STM). Through the shift of the rotational excitation energy, the tunability of physisorbed H2 on ...
AMER CHEMICAL SOC2023Wigner Gaussian dynamics: Simulating the anharmonic and quantum ionic motion
The atomic motion controls important properties of materials, such as thermal transport, phase transitions, and vibrational spectra. However, simulating the ionic dynamics is exceptionally challenging when quantum fluctuations are relevant (e.g., at low te ...
AMER PHYSICAL SOC2023High-Throughput Multiplexed Infrared Spectroscopy of Ion Mobility-Separated Species Using Hadamard Transform
Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Ali H Abikhodr, Vasyl Yatsyna
Coupling vibrational ion spectroscopy with highresolution ion mobility separation offers a promising approach for detailed analysis of biomolecules in the gas phase. Improvements in the ion mobility technology have made it possible to separate isomers with ...
AMER CHEMICAL SOC2022Methylidyne Adsorption on Pt(211) Probed by Reflection Absorption Infrared Spectroscopy (RAIRS)
Rainer Beck, Ana Gutiérrez González, Harmina Vejayan
Methylidyne, CH(ads), adsorbed on a Pt(211) surface and its interaction with chemisorbed hydrogen atoms was studied by reflection absorption infrared spectroscopy (RAIRS). Methylidyne was formed on Pt(211) by methane dissociation from a molecular beam foll ...
2022Efficient Semiclassical Dynamics for Vibronic Spectroscopy beyond Harmonic, Condon, and Zero-Temperature Approximations
Jiri Vanicek, Tomislav Begusic
Understanding light-induced processes in biological and human-made molecular systems is one of the main goals of physical chemistry. It has been known for years that the photoinduced dynamics of atomic nuclei can be studied by looking at the vibrational su ...
2021Broadband visible two-dimensional spectroscopy of molecular dyes
Majed Chergui, Andre Al Haddad, Lars-Hendrik Mewes, Rebecca Ann Ingle
Two-dimensional Fourier transform spectroscopy is a promising technique to study ultrafast molecular dynamics. Similar to transient absorption spectroscopy, a more complete picture of the dynamics requires broadband laser pulses to observe transient change ...
AMER INST PHYSICS2021