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Unveiling the three-center hydrogen bond dynamic behavior in ground and excited states

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/cphc.200800371openalex-snapshot
Effects of Hydrogen Bonding on Tuning Photochemistry: Concerted Hydrogen‐Bond Strengthening and Weakening
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Modification of n‐Type Organic Semiconductor Performance of Perylene Diimides by Substitution in Different Positions: Two‐Dimensional π‐Stacking and Hydrogen Bonding
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Time‐dependent density functional theory study on hydrogen‐bonded intramolecular charge‐transfer excited state of 4‐dimethylamino‐benzonitrile in methanol
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Time‐dependent density functional theory study on the electronic excited‐state geometric structure, infrared spectra, and hydrogen bonding of a doubly hydrogen‐bonded complex
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Modeling nonlinear optics of nanosystems with sum‐over‐states model
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Multiwfn: A multifunctional wavefunction analyzer
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Density Functional Theory
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The influence of polarization functions on molecular orbital hydrogenation energies
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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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The Charge Transfer Phenomenon in Benzene–Pyrene–Sulfoxide/Methanol System: Role of the Intermolecular Hydrogen Bond in Excited States
inferredcites →https://doi.org/10.1016/0014-5793(91)81032-4openalex-snapshot
Occurrence of bifurcated three‐center hydrogen bonds in protpins
inferredcites →https://doi.org/10.1016/0020-711x(92)90347-4openalex-snapshot
Hydrogen bonding in biological structures
inferredcites →https://doi.org/10.1016/0022-2860(81)80112-3openalex-snapshot
A survey of O-H⋯O hydrogen bond geometries determined by neutron diffraction
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Computer graphics presentations and analysis of hydrogen bonds from molecular dynamics simulation
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VMD: Visual molecular dynamics
inferredcites →https://doi.org/10.1016/j.jlumin.2011.05.010openalex-snapshot
Excited-state hydrogen bonding effect on dynamic fluorescence of coumarin 102 chromophore in solution: A time-resolved fluorescence and theoretical study
inferredcites →https://doi.org/10.1016/j.jlumin.2011.06.006openalex-snapshot
Time-dependent density functional theory study on electronic excited states of the hydrogen-bonded solute–solvent phenol–(H2O)n (n=3–5) clusters
inferredcites →https://doi.org/10.1016/j.jlumin.2011.10.011openalex-snapshot
Polymer micro-environmental effects on the fluorescence characteristics of 5-aminoquinoline and 3-aminoquinoline
inferredcites →https://doi.org/10.1016/j.jlumin.2015.03.010openalex-snapshot
Role of hydrogen-bonding and photoinduced electron transfer (PET) on the interaction of resorcinol based acridinedione dyes with Bovine Serum Albumin (BSA) in water
inferredcites →https://doi.org/10.1016/j.jphotochem.2008.10.016openalex-snapshot
Revisiting the electronic excited-state hydrogen bonding dynamics of coumarin chromophore in alcohols: Undoubtedly strengthened not cleaved
inferredcites →https://doi.org/10.1016/j.molstruc.2014.09.023openalex-snapshot
Quantifying the hydrogen-bonding interaction between cation and anion of pure [EMIM][Ac] and evidencing the ion pairs existence in its extremely diluted water solution: Via 13 C, 1 H, 15 N and 2D NMR
inferredcites →https://doi.org/10.1016/j.saa.2015.01.060openalex-snapshot
New insights into the solvent-assisted excited-state double proton transfer of 2-(1H-pyrazol-5-yl)pyridine with alcoholic partners: A TDDFT investigation
inferredcites →https://doi.org/10.1021/acs.jpca.5b09430openalex-snapshot
TD-DFT Study of the Double Excited-State Intramolecular Proton Transfer Mechanism of 1,3-Bis(2-pyridylimino)-4,7-dihydroxyisoindole
inferredcites →https://doi.org/10.1021/ar200135hopenalex-snapshot
Hydrogen Bonding in the Electronic Excited State
inferredcites →https://doi.org/10.1021/cg401500kopenalex-snapshot
Molecular Complexes of Diethyl N,N′-1,3-Phenyldioxalamate and Resorcinols: Conformational Switching through Intramolecular Three-Centered Hydrogen-Bonding
inferredcites →https://doi.org/10.1021/ja00022a011openalex-snapshot
Three-center hydrogen bonds in DNA: molecular dynamics of poly(dA).cntdot.poly(dT)
inferredcites →https://doi.org/10.1021/ja00313a047openalex-snapshot
Geometry of the nitrogen-hydrogen...oxygen-carbon (N-H...O:C) hydrogen bond. 2. Three-center (bifurcated) and four-center (trifurcated) bonds
inferredcites →https://doi.org/10.1021/ja037031popenalex-snapshot
Crucial Role of Three-Center Hydrogen Bonding in a Challenging Chiral Molecular Recognition
inferredcites →https://doi.org/10.1021/ja042390lopenalex-snapshot
Photoinduced Charge Generation and Recombination Dynamics in Model Donor/Acceptor Pairs for Organic Solar Cell Applications: A Full Quantum-Chemical Treatment
inferredcites →https://doi.org/10.1021/ja100936wopenalex-snapshot
Revealing Noncovalent Interactions
inferredcites →https://doi.org/10.1021/ja202582xopenalex-snapshot
A Near-IR Reversible Fluorescent Probe Modulated by Selenium for Monitoring Peroxynitrite and Imaging in Living Cells
inferredcites →https://doi.org/10.1021/ja710114ropenalex-snapshot
NMR Detection of Bifurcated Hydrogen Bonds in Large Proteins
inferredcites →https://doi.org/10.1021/jp068420jopenalex-snapshot
Early Time Hydrogen-Bonding Dynamics of Photoexcited Coumarin 102 in Hydrogen-Donating Solvents: Theoretical Study
inferredcites →https://doi.org/10.1021/jp0734530openalex-snapshot
Site-Selective Photoinduced Electron Transfer from Alcoholic Solvents to the Chromophore Facilitated by Hydrogen Bonding: A New Fluorescence Quenching Mechanism
inferredcites →https://doi.org/10.1021/jp804346yopenalex-snapshot
Interplay Between Hydrogen Bond Formation and Multicenter π-Electron Delocalization: Intermolecular Hydrogen Bonds
inferredcites →https://doi.org/10.1021/jp903200xopenalex-snapshot
Role of Intramolecular and Intermolecular Hydrogen Bonding in Both Singlet and Triplet Excited States of Aminofluorenones on Internal Conversion, Intersystem Crossing, and Twisted Intramolecular Charge Transfer
inferredcites →https://doi.org/10.1039/b818309kopenalex-snapshot
Competition between OH⋯O and multiple halogen–dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins
inferredcites →https://doi.org/10.1039/c5cp02530copenalex-snapshot
Theoretical study on the dehydrogenation reaction of dihydrogen bonded phenol–borane-trimethylamine in the excited state
inferredcites →https://doi.org/10.1063/1.1677527openalex-snapshot
Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
inferredcites →https://doi.org/10.1063/1.3545971openalex-snapshot
Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals
inferredcites →https://doi.org/10.1063/1.447079openalex-snapshot
Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
inferredcites →https://doi.org/10.1080/0144235x.2013.811891openalex-snapshot
Intermolecular hydrogen-bonding effects on photophysics and photochemistry
inferredcites →https://doi.org/10.1093/protein/13.4.227openalex-snapshot
Deterministic features of side-chain main-chain hydrogen bonds in globular protein structures
inferredcites →https://doi.org/10.1103/physrevlett.55.2471openalex-snapshot
Unified Approach for Molecular Dynamics and Density-Functional Theory
inferredcites →https://doi.org/10.1103/physrevlett.55.2850openalex-snapshot
Local density-functional theory of frequency-dependent linear response
inferredcites →https://doi.org/10.1107/s0567740872005096openalex-snapshot
Precision neutron diffraction structure determination of protein and nucleic acid components. III. The crystal and molecular structure of the amino acid α-glycine
inferredcites →https://doi.org/10.1529/biophysj.107.113738openalex-snapshot
Site-Specific Solvation of the Photoexcited Protochlorophyllide a in Methanol: Formation of the Hydrogen-Bonded Intermediate State Induced by Hydrogen-Bond Strengthening

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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inferred← citeshttps://doi.org/10.1016/j.optmat.2019.109620openalex-snapshot
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