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Themed collection Hydrogen bonding in electronically excited states

30 items
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Perspective

Hydrogen bonding of excited states in supramolecular host–guest inclusion complexes

This Perspective article examines the effect of hydrogen bonding on excited state guests included within molecular hosts in solutions, and the impacts on inclusion complex stability and guest fluorescence.

Graphical abstract: Hydrogen bonding of excited states in supramolecular host–guest inclusion complexes
Perspective

Hydrogen bonding and reactivity of water to azines in their S1 (n,π*) electronic excited states in the gas phase and in solution

Possible photochemical and photophysical processes following (n,π*) excitation of azines.

Graphical abstract: Hydrogen bonding and reactivity of water to azines in their S1 (n,π*) electronic excited states in the gas phase and in solution
Perspective

Excited state dynamics and catalytic mechanism of the light-driven enzyme protochlorophyllide oxidoreductase

We review spectroscopic investigations that have been used to study the excited state dynamics and catalytic mechanism of protochlorophyllide oxidoreductase.

Graphical abstract: Excited state dynamics and catalytic mechanism of the light-driven enzyme protochlorophyllide oxidoreductase
Perspective

The role of hydrogen bonding in excited state intramolecular charge transfer

In the condensed phase H-bond strengthening promotes the formation of the ICT state, in the gaseous phase it may be the H-bond breaking.

Graphical abstract: The role of hydrogen bonding in excited state intramolecular charge transfer
Perspective

Excited state intramolecular proton transfer (ESIPT): from principal photophysics to the development of new chromophores and applications in fluorescent molecular probes and luminescent materials

The principal photophysics and applications of ESIPT in fluorescent molecular probes and white light-emitting materials are summarized.

Graphical abstract: Excited state intramolecular proton transfer (ESIPT): from principal photophysics to the development of new chromophores and applications in fluorescent molecular probes and luminescent materials
Paper

Effect of hydrogen-bonding on the excited-state reactivity of fullerene derivatives and its impact on the control of the emission polarisation from photopolic single crystals

Hydrogen bonding directs the formation of photoactive fullerene ribbons in the solid-state crystal structure of a fullerene derivative resulting in photopolic behaviour.

Graphical abstract: Effect of hydrogen-bonding on the excited-state reactivity of fullerene derivatives and its impact on the control of the emission polarisation from photopolic single crystals
Paper

Ab initio study of the solvent H-bonding effect on ESIPT reaction and electronic transitions of 3-hydroxychromone derivatives

Ab initio studies of 3-hydroxychromones show that their proton transfer (ESIPT) can be controlled thermodynamically or kinetically by H-bonding.

Graphical abstract: Ab initio study of the solvent H-bonding effect on ESIPT reaction and electronic transitions of 3-hydroxychromone derivatives
Paper

Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state

A series of the 2-pyridyl-pyrazole derivatives 1–4 possessing five-membered ring hydrogen bonding configuration are synthesized, the structural flexibility of which is strategically tuned to be in the order of 1 > 2 > 3 > 4.

Graphical abstract: Structural tuning intra- versus inter-molecular proton transfer reaction in the excited state
Paper

Strategic emission color tuning of highly fluorescent imidazole-based excited-state intramolecular proton transfer molecules

Via a systematic design and synthesis of the excited-state intramolecular proton-transfer system, the proton-transfer emission can be extensively tuned from 450 nm (HPI) to 630 nm (HPNO).

Graphical abstract: Strategic emission color tuning of highly fluorescent imidazole-based excited-state intramolecular proton transfer molecules
Paper

Photoreaction channels of the guanine–cytosine base pair explored by long-range corrected TDDFT calculations

Potential energy profiles are compared for potentially competing photoinduced processes in the hydrogen-bonded guanine–cytosine base pair, including nonradiative decay in each base and proton transfer between the bases.

Graphical abstract: Photoreaction channels of the guanine–cytosine base pair explored by long-range corrected TDDFT calculations
Paper

Mimicking anaesthetic–receptor interaction: a combined spectroscopic and computational study of propofol⋯phenol

Propofol–phenol clusters are characterised as a model system of the propofol–tyrosine interaction with the GABAA receptor.

Graphical abstract: Mimicking anaesthetic–receptor interaction: a combined spectroscopic and computational study of propofol⋯phenol
Paper

Hydrated alizarin complexes: hydrogen bonding and proton transfer

The hydrogen bonding structures and proton transfer in both the electronic excited and ground states were studied for the hydration complexes of alizarin as a model system for acid–base indicators.

Graphical abstract: Hydrated alizarin complexes: hydrogen bonding and proton transfer
Paper

Hydrogen bond dynamics in the excited states: Photodissociation of phenol in clusters

Phenol clusters of various complexities were studied both experimentally and theoretically revealing the solvation effects on their photochemistry.

Graphical abstract: Hydrogen bond dynamics in the excited states: Photodissociation of phenol in clusters
Paper

The effect of hydrogen bonding on the excited-state proton transfer in 2-(2′-hydroxyphenyl)benzothiazole: a TDDFT molecular dynamics study

Excited state proton transfer in HBT–water clusters showing triple proton transfer.

Graphical abstract: The effect of hydrogen bonding on the excited-state proton transfer in 2-(2′-hydroxyphenyl)benzothiazole: a TDDFT molecular dynamics study
Paper

Excited state proton transfer in strongly enhanced GFP (sGFP2)

Ground- and excited-state proton transfer was studied by pump–dump–probe spectroscopy combined with target analysis, and super-resolution microscopy application is discussed.

Graphical abstract: Excited state proton transfer in strongly enhanced GFP (sGFP2)
Paper

Nonradiative decay dynamics of methyl-4-hydroxycinnamate and its hydrated complex revealed by picosecond pump–probe spectroscopy

Hydrogen-bonding to the phenolic OH dramatically decelerates the trans to cis isomerization rate of methyl 4-hydroxycinnamate (OMpCA). The isomerization barrier height of the OMpCA–water complex is estimated to be ∼500 cm−1.

Graphical abstract: Nonradiative decay dynamics of methyl-4-hydroxycinnamate and its hydrated complex revealed by picosecond pump–probe spectroscopy
Paper

Experimentally measured permanent dipoles induced by hydrogen bonding. The Stark spectrum of indole–NH3

The S0 and S1 permanent dipoles of the indole–NH3 complex reveal a substantial contribution from local hydrogen bonding effects, as evidenced by the large induced dipole measured for each electronic state.

Graphical abstract: Experimentally measured permanent dipoles induced by hydrogen bonding. The Stark spectrum of indole–NH3
Paper

Water-wire catalysis in photoinduced acid–base reactions

Femtosecond-resolved spectroscopy reveals that a water wire plays a catalytic role in aqueous acid–base reactions.

Graphical abstract: Water-wire catalysis in photoinduced acid–base reactions
Paper

Photoinduced electron transfer between various coumarin analogues and N,N-dimethylaniline inside niosome, a nonionic innocuous polyethylene glycol-based surfactant assembly

Electron transfer study inside bio-mimicking organized media like niosome helps understanding various chemical reactions occurring in natural biological systems.

Graphical abstract: Photoinduced electron transfer between various coumarin analogues and N,N-dimethylaniline inside niosome, a nonionic innocuous polyethylene glycol-based surfactant assembly
Paper

Solvent effects on electron-driven proton-transfer processes: adeninethymine base pairs

TD-DFT computations confirm barrier-less Electron-Driven Proton Transfer in an Adenine–Thymine Watson–Crick complex in the gas phase, suggesting also that both EDPT and the possible radiation-less deactivation to the ground state are strongly influenced by environmental effects.

Graphical abstract: Solvent effects on electron-driven proton-transfer processes: adenine–thymine base pairs
Paper

The photo-dissociation of the pyrrole–ammonia complex—the role of hydrogen bonding in Rydberg states photochemistry

Two hydrogen-bonded Rydberg type species are located on the lowest excited singlet PES. The Rydberg center shift (RCS) mechanism proposed that the Rydberg orbital could be located on either the pyrrole or the ammonia components of the cluster. The proton shift is escorted by a shift of the Rydberg orbital, according to the new proton location.

Graphical abstract: The photo-dissociation of the pyrrole–ammonia complex—the role of hydrogen bonding in Rydberg states photochemistry
Paper

H-bonded network rearrangements in the S0, S1 and D0 states of neutral and cationic p-cresol(H2O)(NH3) complexes

Different H-bonded network rearrangements are observed in the S0, S1 and D0 states of neutral and cationic p-cresol(H2O)(NH3) complexes.

Graphical abstract: H-bonded network rearrangements in the S0, S1 and D0 states of neutral and cationic p-cresol(H2O)(NH3) complexes
Paper

Excited-state proton transfer in N-methyl-6-hydroxyquinolinium salts: solvent and temperature effects

The ultrafast kinetics and temperature dependence of the excited-state proton transfer (ESPT) of the “super” photoacid N-methyl-6-hydroxyquinolinium was studied and compared with those of another “super”photoacid 5,8-dicyano-2-naphthol.

Graphical abstract: Excited-state proton transfer in N-methyl-6-hydroxyquinolinium salts: solvent and temperature effects
Paper

Hydrogen bond effects in the ground and excited singlet states of 4H-1-benzopyrane-4-thione in water—theory and experiment

Hydrogen bonding in the ground and electronically excited singlet states of thioketone.

Graphical abstract: Hydrogen bond effects in the ground and excited singlet states of 4H-1-benzopyrane-4-thione in water—theory and experiment
Paper

Spectral deciphering of the interaction between an intramolecular hydrogen bonded ESIPT drug, 3,5-dichlorosalicylic acid, and a model transport protein

The present study reports the binding interaction of an ESIPT drug with a model transport protein BSA with insights into structure, functionality of the protein and drug binding pharmacokinetics behavior.

Graphical abstract: Spectral deciphering of the interaction between an intramolecular hydrogen bonded ESIPT drug, 3,5-dichlorosalicylic acid, and a model transport protein
Paper

On the fluorescence of methyl salicylate: the significance of its IMHB

Photophysical diagram proposed to describe the behaviour of the normal molecular structure of methylsalycilate.

Graphical abstract: On the fluorescence of methyl salicylate: the significance of its IMHB
Paper

Excited-state hydrogen relay along a blended-alcohol chain as a model system of a proton wire: deuterium effect on the reaction dynamics

The rate constant of excited-state deuteron relay along a hydrogen-bonded blended-alcohol chain is determined mostly by the acidity of the alcohol molecule participating directly in the rate-determining step.

Graphical abstract: Excited-state hydrogen relay along a blended-alcohol chain as a model system of a proton wire: deuterium effect on the reaction dynamics
30 items

About this collection

PCCP is delighted to present a themed issue on

Hydrogen bonding in electronically excited states

, Guest Edited by Guang-Jiu Zhao and Ke-Li Han (Dalian Institute of Chemical Physics, China). The issue focuses on hydrogen bonding in electronically excited states, which plays an increasingly important role in many photo-physical processes and photochemical reactions.

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