Simulating coherent multidimensional spectroscopy of nonadiabatic molecular processes: From the infrared to the x-ray regime

M Kowalewski, BP Fingerhut, KE Dorfman… - Chemical …, 2017 - ACS Publications
Crossings of electronic potential energy surfaces in nuclear configuration space, known as
conical intersections, determine the rates and outcomes of a large class of photochemical …

Imaging CF3I conical intersection and photodissociation dynamics with ultrafast electron diffraction

J Yang, X Zhu, TJA Wolf, Z Li, JPF Nunes, R Coffee… - Science, 2018 - science.org
Conical intersections play a critical role in excited-state dynamics of polyatomic molecules
because they govern the reaction pathways of many nonadiabatic processes. However …

Ultrafast symmetry-breaking charge separation in a perylene bisimide dimer enabled by vibronic coupling and breakdown of adiabaticity

Y Hong, F Schlosser, W Kim… - Journal of the American …, 2022 - ACS Publications
Perylene bisimides (PBIs) have received great attention in their applicability to
optoelectronics. Especially, symmetry-breaking charge separation (SB-CS) in PBIs has been …

Electron dynamics in molecular elementary processes and chemical reactions

K Takatsuka - Bulletin of the Chemical Society of Japan, 2021 - academic.oup.com
This account places a particular emphasis on recent progress in the theory and its
applications of nonadiabatic electron dynamics in chemical science. After a brief description …

Characterizing mode anharmonicity and Huang–Rhys factors using models of femtosecond coherence spectra

MS Barclay, JS Huff, RD Pensack… - The Journal of …, 2022 - ACS Publications
Femtosecond laser pulses readily produce coherent quantum beats in transient–absorption
spectra. These oscillatory signals often arise from molecular vibrations and therefore may …

Excited-state energy surfaces in molecules revealed by impulsive stimulated Raman excitation profiles

G Batignani, C Sansone, C Ferrante… - The journal of …, 2021 - ACS Publications
Photophysical and photochemical processes are ruled by the interplay between transient
vibrational and electronic degrees of freedom, which are ultimately determined by the …

Slow intramolecular vibrational relaxation leads to long-lived excited-state wavepackets

SR Rather, GD Scholes - The Journal of Physical Chemistry A, 2016 - ACS Publications
Broadband optical pump and compressed white light continuum probe were used to
measure the transient excited-state absorption, ground-state bleach, and stimulated …

Hidden vibronic and excitonic structure and vibronic coherence transfer in the bacterial reaction center

VR Policht, A Niedringhaus, R Willow, PD Laible… - Science …, 2022 - science.org
We report two-dimensional electronic spectroscopy (2DES) experiments on the bacterial
reaction center (BRC) from purple bacteria, revealing hidden vibronic and excitonic …

The phonon-modulated Jahn–Teller distortion of the nitrogen vacancy center in diamond

WP Carbery, CA Farfan, R Ulbricht… - Nature Communications, 2024 - nature.com
The negatively charged nitrogen vacancy (NV) center in diamond is an optically accessible
material defect with a unique combination of spin and optical properties that has attracted …

Coherent Vibrational Dynamics of Au144(SC8H9)60 Nanoclusters

WR Jeffries, S Malola, MA Tofanelli… - The Journal of …, 2023 - ACS Publications
The coherent vibrational dynamics of Au144 (SC8H9) 60, obtained from femtosecond time-
resolved transient absorption spectroscopy, are described. Two acoustic modes were …