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• W2032823824 abstract "Photoionization-induced rearrangement of the water network in the trans-formanilide 1 ∶ 4 cluster, FA–(H2O)4, has been investigated by using IR-photodissociation spectroscopy and quantum chemical calculations. The IR spectrum of FA–(H2O)4 in the S0 state shows that the observed cluster has a cyclic hydrogen-bonded structure where the CO group and the NH group of FA are bridged with four water molecules, consistent with the reported structure [E. G. Robertson, Chem. Phys. Lett., 2000, 325, 299]. However, the corresponding cyclic hydrogen-bonded structure in the D0 state of [FA–(H2O)4]+ is a minor product arising from photoionization via the S1–S0 origin of FA–(H2O)4. The dominant product has an extended H-bonded structure, where the intermolecular hydrogen bond between the hydrogen of the OH group of a water molecule and the CO group is dissociated. This is the first observation of a photoionization-induced rearrangement of the water network in [FA–(H2O)4]+. Through DFT calculations, we conclude that the rearrangement occurs due to entropic effects." @default.
• W2032823824 created "2016-06-24" @default.
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• W2032823824 date "2011-01-01" @default.
• W2032823824 modified "2023-10-17" @default.
• W2032823824 title "Entropy-driven rearrangement of the water network at the hydrated amide group of the trans-formanilide–water cluster in the gas phase" @default.
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• W2032823824 doi "https://doi.org/10.1039/c0cp02836c" @default.
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• W2032823824 hasPublicationYear "2011" @default.
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