Investigating Intramolecular H Atom Transfer Dynamics in β-Diketones with Ultrafast Infrared Spectroscopies and Theoretical Modeling
JLS Dean, VS Winkler, MA Boyer… - The Journal of …, 2023 - ACS Publications
The vibrational signatures and ultrafast dynamics of the intramolecular H-bond in a series of
β-diketones are investigated with 2D IR spectroscopy and computational modeling. The …
β-diketones are investigated with 2D IR spectroscopy and computational modeling. The …
Spectroscopic manifestations of indirect vibrational state mixing: novel anharmonic effects on a prereactive H atom transfer surface
The NH stretch region of the IR spectrum of methyl anthranilate is modeled in the S1 state to
understand the connection between the absence of this fundamental in the fluorescence-dip …
understand the connection between the absence of this fundamental in the fluorescence-dip …
Couplings across the vibrational spectrum caused by strong hydrogen bonds: A continuum 2D IR study of the 7-azaindole–acetic acid heterodimer
AM Stingel, PB Petersen - The Journal of Physical Chemistry B, 2016 - ACS Publications
Strongly hydrogen-bonded motifs provide structural stability and can act as proton transfer
relays to drive chemical processes in biological and chemical systems. However, structures …
relays to drive chemical processes in biological and chemical systems. However, structures …
An eco-friendly approach for metals extraction using polymeric nanofibers modified with di-(2-ethylhexyl) phosphoric acid (DEHPA)
FN da Silva, MM Bassaco, DA Bertuol… - Journal of Cleaner …, 2019 - Elsevier
The aim of this work was to develop new materials employing polymeric nanofibers modified
with an organic extractant for the extraction of metals. For this purpose, nylon-6 nanofibers …
with an organic extractant for the extraction of metals. For this purpose, nylon-6 nanofibers …
Hydrogen bond induced enhancement of Fermi resonances in N–H⋯ N hydrogen bonded complexes of anilines
The hydrogen-bonded complexes of aniline, 4-fluoroaniline and 4-ethynylaniline with
ammonia, methylamine, dimethylamine, trimethylamine and triethylamine, were investigated …
ammonia, methylamine, dimethylamine, trimethylamine and triethylamine, were investigated …
Vibrational dynamics of the intramolecular H-bond in acetylacetone investigated with transient and 2D IR spectroscopy
JLS Dean, JA Fournier - The Journal of Physical Chemistry B, 2022 - ACS Publications
Acetylacetone (AcAc) has proven to be a fruitful but highly challenging model system for the
experimental and computational interrogation of strong intramolecular hydrogen bonds. Key …
experimental and computational interrogation of strong intramolecular hydrogen bonds. Key …
Vibrational Energy Transfer in Energetic Ionic Liquid 4-Amino-1H-1,2,4-triazolium Nitrate: Ab Initio Molecular Dynamics Simulations
J Zhao, J Wang - The Journal of Physical Chemistry A, 2024 - ACS Publications
Energetic ionic liquids (EILs) represent a distinctive class of energetic materials with
substantial research significance and promising energetic applications. In this work, we …
substantial research significance and promising energetic applications. In this work, we …
Unraveling the interplay between hydrogen bonding and rotational energy barrier to fine-tune the properties of triazine molecular glasses
A Laventure, G De Grandpré, A Soldera… - Physical Chemistry …, 2016 - pubs.rsc.org
Mexylaminotriazine derivatives form molecular glasses with outstanding glass-forming
ability (GFA), high resistance to crystallization (glass kinetic stability, GS), and a glass …
ability (GFA), high resistance to crystallization (glass kinetic stability, GS), and a glass …
LIF Spectroscopy of p-Fluorophenol···Water Complex: Hydrogen Bond Vibrations, Fermi Resonance, and Vibrational Relaxation in the Excited State
DP Mukhopadhyay, S Biswas… - The Journal of Physical …, 2016 - ACS Publications
Laser-induced fluorescence (FE) and vibrationally resolved dispersed fluorescence (DF)
spectra of a 1: 1 water complex of p-fluorophenol (pFP) have been measured in a …
spectra of a 1: 1 water complex of p-fluorophenol (pFP) have been measured in a …
Resolving the excited state relaxation dynamics of guanosine monomers and hydrogen-bonded homodimers in chloroform solution
RA Ingle, GM Roberts, K Roettger, HJB Marroux… - Chemical Physics, 2018 - Elsevier
The relaxation pathways of silyl-modified guanosine nucleoside monomers (G) and double-
hydrogen-bonded homodimers (GG1) are compared in chloroform solution after 260-nm …
hydrogen-bonded homodimers (GG1) are compared in chloroform solution after 260-nm …