The cationic grid, {[Cu(1,2-bis(4-pyridylethane)2)(H2O)2]2+]n, and the complex anion, Cu(4-pySO3)4(H2O)2]2-, neither of which have been previously observed, form a perfectly complementary supramolecular pair with respect to charge and H-bonding, to mutually stabilize each others formation.

Two heterometallic heptanuclear oxalato-bridged [BaII3MIII4] complexes, (Org-H)6[Ba3(H2O)5.1Cr4(C2O4)12]·5H2O (1) and (Org-H)6[Ba3(H2O)5.3Fe4(C2O4)12]·5H2O (2) (Org-H = C5H7N2+: 3-aminopyridinium cation), have been synthesized through an ion-exchange reaction strategy by combining {Ba6(H2O)17[MIII(C2O4)3]4}·7H2O (M Cr; Fe) with (C5H7N2)2C2O4 in a 1:3 M ratio. They characterized elemental therma...

Using previous results for the equilibrium geometries of stoichiometric (Al2O3)n clusters as models for non ideal alumina surfaces, we obtain, from ab-initio total energy LCAO calculations, the corresponding relaxed structures of the complexes H2O–(Al2O3)n with n ≤ 7. Depending on the initial position of the water molecule relative to the cluster site, the complex evolves to different equilibri...

Reactions of ZnO nanowires (NWs) with atomic hydrogen were investigated with temperature-programmed desorption (TPD) mass spectrometry, scanning electron microscopy, and photoluminescence (PL) spectroscopy. During TPD, molecular H2, H2O, and atomic Zn desorbed from ZnO NWs pretreated with atomic H at 220 K. Three distinct H2 TPD peaks, two from surface H states and one from a bulk H state, were...

Reactions of 1,4,7-triazacyclononane-1,4,7-triyl-tris(methylenephosphonic acid) [notpH(6), C(9)H(18)N(3)(PO(3)H(2))3] with different lanthanide salts result in four types of Ln-notp compounds: [Ln{C(9)H(20)N(3)(PO(3)H)(2)(PO(3))}(NO(3))(H(2)O)].4H2O (1), [Ln = Eu (1 Eu), Gd (1 Gd), Tb (1 Tb)], [Ln{C(9)H(20)N(3)(PO(3)H)(2)(PO(3))}(H2O)]Cl.3H2O (2) [Ln = Eu (2 Eu), Gd (2 Gd), Tb (2 Tb)], [Ln{C(9)...

Spectroscopy and predissociation dynamics of (H2O)2 and Ar-H2O are investigated with vibrationally mediated dissociation (VMD) techniques, wherein upsilon(OH) = 2 overtones of the complexes are selectively prepared with direct infrared pumping, followed by 193 nm photolysis of the excited H2O molecules. As a function of relative laser timing, the photolysis breaks H2O into OH and H fragments ei...

We report on Herschel/PACS observations of absorption lines of OH, H2O and H3O in NGC 4418 and Arp 220. Excited lines of OH and H2O with Elower of at least 285 and ∼200 K, respectively, are detected in both sources, indicating radiative pumping and location in the high radiation density environment of the nuclear regions. Abundance ratios OH/H2O of 1−2.5 are estimated in the nuclei of both sour...

To probe the cis effect of the corrin macrocycle in vitamin B12 derivatives, equilibrium constants for the substitution of coordinated H2O in aquacobalamin (vitamin B12a, H2OCbl+) and in aqua-10-chlorocobalamin, H2O-10-ClCbl+, (in which Cl has replaced the C10 H) by an exogenous ligand, L (L = an anion, NO2-, SCN-, N3-, OCN-, S2O3(2-), NCSe- or a neutral N-donor, CH3NH2, pyridine, imidazole) ha...

Introduction: Fe-sulfates with OH &/or H2O are found in martian meteorites [e.g. 1] & on the martian surface [e.g. 2]. These minerals may provide evidence for past surface environments & potential habitability, [e.g. 3]. Several studies have characterized Fe-sulfates using spectral features [e.g., 4-6]. However, unique identification of Fe-sulfates is hampered by the occurrence of mineral assem...

Hydrogen bond (H-bond) covalency has recently been observed in ice and liquid water, while the penetrating molecular orbitals (MOs) in the H-bond region of most typical water dimer system, (H2O)2, have also been discovered. However, obtaining the quantitative contribution of these MOs to the H-bond interaction is still problematic. In this work, we introduced the orbital-resolved electron densi...