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Due to the fundamental importance of ubiquitous protonated water (the aqueous acids) in chemical and biological systems,1-4 H+(H2O)n, a microscopic model system of protonated water, is among the most thoroughly explored cluster ions for understanding the molecular structure of the hydrated protons, proton migration in liquid water, as well as the transfer of proton through a protein
embedded in membranes5,6 since it was found by mass spectrometry. 7 The advantage of water clusters is the possibility to obtain precise structural data of hydrogen-bonded simulations in diverse environments with various sizes.8 This realization has led to the upsurge in vibrational spectroscopies for studying protonated water clusters H+(H2O)n, with n from 6 to 27,9,10 and in laser spectral
evolution for directly monitoring the proton accommodation motif H+(H2O)n, with n from 2 to 11.11 Since the distinction of structural variation of larger protonated water clusters (n > 20) is beyond the scope of the vibrational spectroscopic precision,8-10 we think that crystallographic structural studies of the large proton hydrate clusters stabilized in the lattices of crystal hosts, rather than the spectroscopic investigations, should provide much more detailed information characterizing these intriguing and important clusters.
出自J. AM. CHEM. SOC. 2006, 128, 13318-13319
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