The frequency dependent polarizabilities of closed-shell alkali metal clusters containing up to ten lithium, potassium, and rubidium atoms have been calculated using the linear complex polarization propagator approach in conjunction with Hartree–Fock and Kohn–Sham density functional theory. In combination with polarizabilities for C60 from a previous work [J. Chem. Phys. 123, 124312 (2005)], th...

Coinage and alkali metal mixed clusters, M4Na- (M = Cu, Au) have been investigated experimentally using photoelectron spectroscopy and computationally at correlated ab initio levels. The related Cu4Li-, Ag4Li-, Ag4Na-, and Au4Li- clusters as well as the neutral Cu4Li2 and Cu4Na2 clusters have also been studied computationally. The calculations show that the two lowest isomers of the negatively ...

Toward the large-area deposition of MoS2 layers, we employ metal-organic precursors of Mo and S for a facile and reproducible van der Waals epitaxy on c-plane sapphire. Exposing c-sapphire substrates to alkali metal halide salts such as KI or NaCl together with the Mo precursor prior to the start of the growth process results in increasing the lateral dimensions of single crystalline domains by...

We describe a general multinuclear (1H, 23Na, 87Rb) NMR approach for direct detection of alkali metal ions bound to G-quadruplex DNA. This study is motivated by our recent discovery that alkali metal ions (Na+, K+, Rb+) tightly bound to G-quadruplex DNA are actually "NMR visible" in solution (Wong, A.; Ida, R.; Wu, G. Biochem. Biophys. Res. Commun. 2005, 337, 363). Here solution and solid-state...

Alkali metal monoalcoholates of 1,3-diols can be used as very effective catalysts in the Tishchenko reaction of 4-hydroxy-1,3-dioxanes to the corresponding monoesters of 1,3-diols. These catalysts are extremely efficient and fast compared to metal hydroxides commonly used. Thus, monoalcoholate catalysts give fast transesterification with the product ester. The loss in yield due to ester interch...

Self-assembly processes of the highly reduced bowl-shaped corannulene generated by the chemical reduction with a binary combination of alkali metals, namely Li-Rb, have been investigated by variable-temperature 1H and 7Li NMR spectroscopy. The formation of several unique mixed metal sandwich products based on tetrareduced corannulene, C20H104- (14-), has been revealed followed by investigation ...

Computing the enthalpies of formation for alkali metal and alkaline earth metal oxides (M(x)O) and hydroxides [M(OH)(n)] using the Gaussian-n (Gn) and Weismann-n (Wn) ab initio model chemistries is difficult due to an improper treatment of core-valence electron correlation effects. Using a new model chemistry called the correlation consistent Composite Approach (ccCA), enthalpies of formation w...

The novel amphiphilic benzodithia-18-crown-6 butadienyl dye (1) forms relatively stable insoluble monolayers on distilled water (collapse pressure of 41 mN/m) and on aqueous subphases containing alkali metal or heavy metal salts (collapse pressures in the range of 27-38 mN/m, respectively). The dye 1 monolayer organization depends on chromophore association and interactions (especially complex ...

where k sd is the spin destruction rate constant between the alkali atom and some particle of type i, Γwall is the wall relaxation rate, and kdip is the He nuclear dipolar self relaxation rate constant. According to these equations, if one could provide enough laser power to keep a very high density of alkali metal polarized, then the He polarization could be, in principle, made to equilibrate ...