Capturing chemistry in action with electrons: realization of atomically resolved reaction dynamics

AA Ischenko, PM Weber, RJD Miller - Chemical reviews, 2017 - ACS Publications
One of the grand challenges in chemistry has been to directly observe atomic motions
during chemical processes. The depiction of the nuclear configurations in space-time to …

Ultrafast X-ray transient absorption spectroscopy of gas-phase photochemical reactions: A new universal probe of photoinduced molecular dynamics

A Bhattacherjee, SR Leone - Accounts of chemical research, 2018 - ACS Publications
Conspectus Time-resolved spectroscopic investigations of light-induced chemical reactions
with universal detection capitalize recently on single-photon molecular probing using laser …

Femtosecond x-ray spectroscopy of an electrocyclic ring-opening reaction

AR Attar, A Bhattacherjee, CD Pemmaraju, K Schnorr… - Science, 2017 - science.org
The ultrafast light-activated electrocyclic ring-opening reaction of 1, 3-cyclohexadiene is a
fundamental prototype of photochemical pericyclic reactions. Generally, these reactions are …

The photochemical ring-opening of 1, 3-cyclohexadiene imaged by ultrafast electron diffraction

TJA Wolf, DM Sanchez, J Yang, RM Parrish… - Nature …, 2019 - nature.com
The ultrafast photoinduced ring-opening of 1, 3-cyclohexadiene constitutes a textbook
example of electrocyclic reactions in organic chemistry and a model for photobiological …

Observation of the molecular response to light upon photoexcitation

H Yong, N Zotev, JM Ruddock, B Stankus… - Nature …, 2020 - nature.com
When a molecule interacts with light, its electrons can absorb energy from the
electromagnetic field by rapidly rearranging their positions. This constitutes the first step of …

Ultrafast photoinduced dynamics of 1, 3-cyclohexadiene using XMS-CASPT2 surface hopping

I Polyak, L Hutton, R Crespo-Otero… - Journal of chemical …, 2019 - ACS Publications
A full-dimensional simulation of the photodissociation of 1, 3-cyclohexadiene in the manifold
of three electronic states was performed via nonadiabatic surface hopping dynamics using …

Ultrafast intersystem crossing in acetylacetone via femtosecond X-ray transient absorption at the carbon K-edge

A Bhattacherjee, CD Pemmaraju… - Journal of the …, 2017 - ACS Publications
Molecular triplet states constitute a crucial gateway in the photochemical reactions of
organic molecules by serving as a reservoir for the excess electronic energy. Here, we …

On electron pair rearrangements in photochemical reactions: 1, 3-cyclohexadiene ring opening

C Guerra, L Ayarde-Henríquez… - The Journal of …, 2021 - ACS Publications
1, 3-Cyclohexadiene ring opening has been studied within the bonding evolution theory
(BET) framework. We have focused on describing for the first time the electron pair …

[HTML][HTML] Ultrafast x-ray and electron scattering of free molecules: A comparative evaluation

L Ma, H Yong, JD Geiser, A Moreno Carrascosa… - Structural …, 2020 - pubs.aip.org
Resolving gas phase molecular motions with simultaneous spatial and temporal resolution
is rapidly coming within the reach of x-ray Free Electron Lasers (XFELs) and Mega-electron …

Nonadiabatic dynamics of 1, 3-cyclohexadiene by curvature-driven coherent switching with decay of mixing

L Zhang, Y Shu, S Bhaumik, X Chen… - Journal of Chemical …, 2022 - ACS Publications
The photoinduced ring-opening reaction of 1, 3-cyclohexadiene to produce 1, 3, 5-
hexatriene is a classic electrocyclic reaction and is also a prototype for many reactions of …