title: A large protonated water cluster H+(H2O)27 in a 3D metal-organic framework.
abstract: A large protonated water cluster, H+(H2O)27, has been trapped and stabilized within the well-modulated cavity of a 3D metal-organic framework formed by cobalt(II) and 4,4'-bipyridine-N,N'-dioxide with a globular Keggin structure [PW12O4]3- anion as template. The structurally characterized protonated water cluster might comprise a (H2O)26 shell with Oh symmetry and a monowater core within the center which is suggested to be a hydronium ion with the Eigen model.
authors.affiliation: Coordination Chemistry Institute, State Key Laboratory of Coordination Chemistry, and Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry of MOE, Nanjing University, Nanjing 210093, People's Republic of China.
authors.forename: Meilin
authors.initials: M
authors.lastname: Wei
authors.forename: Cheng
authors.initials: C
authors.lastname: He
authors.forename: Weijie
authors.initials: W
authors.lastname: Hua
authors.forename: Chunying
authors.initials: C
authors.lastname: Duan
authors.forename: Shuhua
authors.initials: S
authors.lastname: Li
authors.forename: Qingjin
authors.initials: Q
authors.lastname: Meng
mesh_terms: D000097:Acetonitriles / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008670:Metals / Q000737:chemistry*; D009861:Onium Compounds / Q000737:chemistry; D009942:Organometallic Compounds / Q000737:chemistry*; D016062:Porosity; D011522:Protons; D014867:Water / Q000737:chemistry*
chemical_list: D000097:Acetonitriles; D008670:Metals; D009861:Onium Compounds; D009942:Organometallic Compounds; D011522:Protons; D014867:Water; C027727:hydronium ion