Long-range hydrogen-bond relay catalyses the excited-state proton transfer reaction

Chang, Kai‐Hsin; Peng, Yu-Chiang; Su, Kuan-Hsuan; Lin, Ying-Hsi; Liu, Jiun-Chi; Liu, Ying-Hsuan; Hsu, Chao-Hsien; Yang, Meihua; Chou, Pi‐Tai

doi:10.1039/d3sc01441j

Cited by 2 publications

(2 citation statements)

References 44 publications

(95 reference statements)

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“…For 2,2′-(pyridyl)pyrrole, it remains to be established whether this mechanism is also dominant at room temperature, as was found to be the case for porphyrin and its isomers. The results obtained for structurally similar compounds 36 , 37 strongly suggest such a possibility.…”

Section: Environmental Effectsmentioning

confidence: 71%

Nuclear Quantum Effects in Proton or Hydrogen Transfer

Waluk

2024

J. Phys. Chem. Lett.

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Proton or hydrogen transfers, basic chemical reactions, proceed either by thermally activated barrier crossing or via tunneling. Studies of molecules undergoing single or double proton or hydrogen transfer in the ground or excited electronic state reveal that tunneling can dominate under conditions usually considered to favor the thermal process. Moreover, the tunneling probability strongly varies for excitation of certain vibrational modes, which changes the effective barrier and/or proton transfer distance. When the reaction is fast compared to vibrational relaxation, the mode selectivity can still be maintained for molecules in solutions at 293 K. These observations point to dangers of relating the calculated minimum energy paths and the associated barriers to the experimentally obtained activation energies. The multidimensional character of the reaction coordinate is obvious; it can dramatically change for slowly and rapidly relaxing environments. We postulate that the hydrogen bond definition should be extended by specifically including the role of molecular vibrations.

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Section: Environmental Effectsmentioning

confidence: 71%

Nuclear Quantum Effects in Proton or Hydrogen Transfer

Waluk

2024

J. Phys. Chem. Lett.

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“…Particularly noteworthy is the migration of protons facilitated by an array of hydrogen-bonded wires acting as relay stations. 25–30 To delve into the properties of excited state multiple protons transfer, it cannot be denied that investigating the reaction known as excited state double proton transfer (ESDPT) represents the most fundamental approach. 31–35 The phenomenon of double intermolecular or intramolecular hydrogen bonding interactions has garnered significant attention in recent years across diverse disciplines such as biology, physics, and even material fields.…”

Section: Introductionmentioning

confidence: 99%