Probing solvation dynamics around aromatic and biological molecules at the single-molecular level

O Dopfer, M Fujii - Chemical Reviews, 2016 - ACS Publications
Solvation processes play a crucial role in chemical reactions and biomolecular recognition
phenomena. Although solvation dynamics of interfacial or biological water has been studied …

Ionisation-induced site switching dynamics in solvated aromatic clusters: phenol–(rare gas) n clusters as prototypical example

M Fujii, O Dopfer - International Reviews in Physical Chemistry, 2012 - Taylor & Francis
The ionisation-induced π→ H site switching reaction in clusters of phenol solvated by rare
gas ligands, PhOH–Rg n (Rg= Ar and Kr, n= 1–3), is characterised by electron impact …

Structures and IR/UV spectra of neutral and ionic phenol–Ar n cluster isomers (n≤ 4): competition between hydrogen bonding and stacking

M Schmies, A Patzer, M Fujii, O Dopfer - Physical Chemistry Chemical …, 2011 - pubs.rsc.org
The structures, binding energies, and vibrational and electronic spectra of various isomers of
neutral and ionic phenol–Arnclusters with n≤ 4, PhOH (+)–Arn, are characterized by …

Stepwise microhydration of aromatic amide cations: water solvation networks revealed by the infrared spectra of acetanilide+–(H 2 O) n clusters (n≤ 3)

J Klyne, M Schmies, M Miyazaki, M Fujii… - Physical Chemistry …, 2018 - pubs.rsc.org
The structure and activity of peptides and proteins strongly rely on their charge state and the
interaction with their hydration environment. Here, infrared photodissociation (IRPD) spectra …

Electronic and vibrational spectroscopies of aromatic clusters with He in a supersonic jet: The case of neutral and cationic phenol–Hen (n= 1 and 2)

M Miyazaki, M Ono, R Otsuka, O Dopfer… - The Journal of Chemical …, 2023 - pubs.aip.org
Van der Waals clusters composed of He and aromatic molecules provide fundamental
information about intermolecular interactions in weakly bound systems. In this study, phenol …

Infrared and electronic spectroscopy of p-C6H4Cl2+–Ln clusters with L= Ar, N2, H2O, and p-C6H4Cl2

S Chakraborty, A Patzer, A Lagutschenkov… - International Journal of …, 2010 - Elsevier
Mass-selected clusters of the para-dichlorobenzene cation (p-C6H4Cl2+, pDCB+) are
characterized by vibrational and electronic photodissociation spectroscopy in a molecular …

IR spectra of resorcinol+–Arn cluster cations (n= 1, 2): Evidence for photoionization-induced π→ H isomerization

A Patzer, J Langer, H Knorke, H Neitsch, O Dopfer… - Chemical Physics …, 2009 - Elsevier
Resorcinol+–Arn cations (Rs+–Arn, n= 1, 2) generated by resonant multiphoton ionization
(REMPI) and electron ionization (EI) were assayed by their infrared (IR) photodissociation …

Ionization-induced π→ H site-switching in phenol–CH 4 complexes studied using IR dip spectroscopy

M Miyazaki, A Takeda, M Schmies, M Sakai… - Physical Chemistry …, 2014 - pubs.rsc.org
IR spectra of phenol–CH4 complexes generated in a supersonic expansion were measured
before and after photoionization. The IR spectrum before ionization shows the free OH …

Dissipative wave packet dynamics of hydrophobic→ hydrophilic site switching in phenol-Ar clusters

C Walter, R Kritzer, A Schubert, C Meier… - The Journal of …, 2010 - ACS Publications
We analyze the results of recent pump− probe experiments on the site-switching dynamics
of Ar within cationic phenol-Ar2 clusters. A reaction-path model is employed for the wave …

Anharmonic Vibrational Frequency Shifts upon Interaction of Phenol(+) with the Open Shell Ligand O2. The Performance of DFT Methods versus MP2

V Kocevski, L Pejov - The Journal of Physical Chemistry A, 2012 - ACS Publications
Anharmonic vibrational frequency shifts of the phenol (+) O–H stretching mode upon
complex formation with the open-shell ligand O2 were computed at several DFT and MP2 …