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 …

Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer

M Chen, L Zheng, B Santra, HY Ko, RA DiStasio Jr… - Nature …, 2018 - nature.com
Proton transfer via hydronium and hydroxide ions in water is ubiquitous. It underlies acid–
base chemistry, certain enzyme reactions, and even infection by the flu. Despite two …

Spectroscopic snapshots of the proton-transfer mechanism in water

CT Wolke, JA Fournier, LC Dzugan, MR Fagiani… - Science, 2016 - science.org
The Grotthuss mechanism explains the anomalously high proton mobility in water as a
sequence of proton transfers along a hydrogen-bonded (H-bonded) network. However, the …

Tracking Mechanistic Pathway of Photocatalytic CO2 Reaction at Ni Sites Using Operando, Time-Resolved Spectroscopy

Y Hu, F Zhan, Q Wang, Y Sun, C Yu… - Journal of the …, 2020 - ACS Publications
Harvesting solar energy for catalytic conversion of CO2 into valuable chemical
fuels/feedstocks is an attractive yet challenging strategy to realize a sustainable carbon …

Nuclear quantum effects largely influence molecular dissociation and proton transfer in liquid water under an electric field

G Cassone - The journal of physical chemistry letters, 2020 - ACS Publications
Proton transfer in liquid water controls acid–base chemistry, crucial enzyme reactions, and
the functioning of fuel cells. Externally applied static electric fields in water are capable of …

Large-amplitude transfer motion of hydrated excess protons mapped by ultrafast 2D IR spectroscopy

F Dahms, BP Fingerhut, ETJ Nibbering, E Pines… - Science, 2017 - science.org
Solvation and transport of excess protons in aqueous systems play a fundamental role in
acid-base chemistry and biochemical processes. We mapped ultrafast proton excursions …

Broadband 2D IR spectroscopy reveals dominant asymmetric H5O2+ proton hydration structures in acid solutions

JA Fournier, WB Carpenter, NHC Lewis… - Nature chemistry, 2018 - nature.com
Given the critical role of the aqueous excess proton in redox chemistry, determining its
structure and the mechanism of its transport in water are intense areas of experimental and …

From local covalent bonding to extended electric field interactions in proton hydration

M Ekimova, C Kleine, J Ludwig… - Angewandte Chemie …, 2022 - Wiley Online Library
Seemingly simple yet surprisingly difficult to probe, excess protons in water constitute
complex quantum objects with strong interactions with the extended and dynamically …

Novel B-doped BiOCl nanosheets with exposed (001) facets and photocatalytic mechanism of enhanced degradation efficiency for organic pollutants

C Yu, H He, Q Fan, W Xie, Z Liu, H Ji - Science of the Total Environment, 2019 - Elsevier
Novel B doped BiOCl nanocrystals (B-BiOCl) with exposed (001) facets were fabricated via
a facile solvothermal route. The characterization methods of XRD, BET, SEM, TEM, UV–vis …

Aqueous charge injection: solvation bonding dynamics, molecular nonbond interactions, and extraordinary solute capabilities

CQ Sun - International Reviews in Physical Chemistry, 2018 - Taylor & Francis
Aqueous charge injection in forms of electrons, protons, lone pairs, ions, and molecular
dipoles by solvation is ubiquitously important to our health and life. Pursuing fine-resolution …