Photoinduced hydrogen-bonding dynamics

Abstract

Hydrogen bonding dynamics has received extensive research attention in recent years due to the significant advances in femtolaser spectroscopy experiments and quantum chemistry calculations. Usually, photoexcitation would cause changes in the hydrogen bonding formed through the interaction between hydrogen donor and acceptor molecules on their ground electronic states, and such transient strengthening or weakening of hydrogen bonding could be crucial for the photophysical transformations and the subsequent photochemical reactions that occurred on a time scale from tens of femtosecond to a few nanoseconds. In this article, we review the combined experimental and theoretical studies focusing on the ultrafast electronic and vibrational hydrogen bonding dynamics. Through these studies, new mechanisms and proposals and common rules have been put forward to advance our understanding of the hydrogen bondings dynamics in a variety of important photoinduced phenomena like photosynthesis, dual fluorescence emission, rotational reorientation, excited-state proton transfer and charge transfer processes, chemosensor fluorescence sensing, rearrangements of the hydrogen-bond network including forming and breaking hydrogen bond in water. Graphical Abstract We review the recent advances on exploring the photoinduced hydrogen bonding dynamics in solutions through a joint approach of laser spectroscopy and theoretical calculation. The reviewed studies have put forward a new mechanism, new proposal, and new rule for a variety of photoinduced phenomena such as photosynthesis, dual fluorescence emission, rotational reorientation, excited-state proton transfer and charge transfer, chemosensor fluorescence sensing, and rearrangements of the hydrogen-bond network in water.

A theoretical exploration and regulating about the excited state process for 2‐(4‐(diphenylamino)phenyl)‐3‐hydroxy‐4H‐chromen‐4‐one system

“…And this kind of process has been widely investigated in the past few years due to their significant characteristics in biological and chemical fields. In effect, these changes about properties have been extensively applied to fluorescent sensing technologies, fluorescence imaging, organic light‐emitting diodes (OLEDs), and so forth . However, some mechanisms of the ESPT reactions are complicated.…”

“…In effect, these changes about properties have been extensively applied to fluorescent sensing technologies, fluorescence imaging, organic lightemitting diodes (OLEDs), and so forth. [31][32][33][34][35][36][37][38][39][40] However, some mechanisms of the ESPT reactions are complicated. The mechanisms of PT, such as the sequence of PT in the dual-PT system as well as the mode of PT, and so forth, could not be obtained by spectra technologies.…”

Insights into the excited state intramolecular proton transfer process and mechanism of the novel 3‐hydroxythioflavone system: A theoretical study

“…Thus, in this work, we mainly focus on the fundamental excited state dynamical aspects about 3HTF molecules. As the widely used density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods can reasonably describe the hydrogen bonding effects and the corresponding excited state processes, [38][39][40][41][42][43][44][45][46][47][48][49][50][51][52] we theoretically adopt these two methods in S 0 and S 1 states, respectively.…”

Theoretical exploration about excited state proton transfer mechanism for a series of phenol–quinoline compounds

“…Dual fluorescence bands might be observed, and a broad range of spectrum could be covered, which makes the ESIPT compounds suitable for optical applications. The fast reorganization of charge distribution for the keto* structures renders the ESIPT compounds interesting in the design of novel, organic, light‐emitting diodes (OLEDs); near‐IR fluorescent sensors; molecular switches; and so forth …”