Alkali metals densities

Reacting Mixtures at Low Density - Alkali Metal Vapors... 

One current limitation of orbital-free DFT is that since only the total density is calculated, there is no way to identify contributions from electronic states of a certain angular momentum character /. This identification is exploited in non-local pseudopotentials so that electrons of different / character see different potentials, considerably improving the quality of these pseudopotentials. The orbital-free metliods thus are limited to local pseudopotentials, connecting the quality of their results to the quality of tlie available local potentials. Good local pseudopotentials are available for the alkali metals, the alkaline earth metals and aluminium [100. 101] and methods exist for obtaining them for other atoms (see section VI.2 of [97]). 

Within the periodic Hartree-Fock approach it is possible to incorporate many of the variants that we have discussed, such as LFHF or RHF. Density functional theory can also be used. I his makes it possible to compare the results obtained from these variants. Whilst density functional theory is more widely used for solid-state applications, there are certain types of problem that are currently more amenable to the Hartree-Fock method. Of particular ii. Icvance here are systems containing unpaired electrons, two recent examples being the clci tronic and magnetic properties of nickel oxide and alkaline earth oxides doped with alkali metal ions (Li in CaO) [Dovesi et al. 2000]. 

The alkali metals tend to ionize thus, their modeling is dominated by electrostatic interactions. They can be described well by ah initio calculations, provided that diffuse, polarized basis sets are used. This allows the calculation to describe the very polarizable electron density distribution. Core potentials are used for ah initio calculations on the heavier elements. 

Complex Ion Formation. Phosphates form water-soluble complex ions with metallic cations, a phenomenon commonly called sequestration. In contrast to many complexing agents, polyphosphates are nonspecific and form soluble, charged complexes with virtually all metallic cations. Alkali metals are weakly complexed, but alkaline-earth and transition metals form more strongly associated complexes (eg, eq. 16). Quaternary ammonium ions are complexed Htde if at all because of their low charge density. The amount of metal ion that can be sequestered by polyphosphates generally increases... 

The interpretation of these remarkable properties has excited considerable interest whilst there is still some uncertainty as to detail, it is now generally agreed that in dilute solution the alkali metals ionize to give a cation M+ and a quasi-free electron which is distributed over a cavity in the solvent of radius 300-340 pm formed by displacement of 2-3 NH3 molecules. This species has a broad absorption band extending into the infrared with a maximum at 1500nm and it is the short wavelength tail of this band which gives rise to the deep-blue colour of the solutions. The cavity model also interprets the fact that dissolution occurs with considerable expansion of volume so that the solutions have densities that are appreciably lower than that of liquid ammonia itself. The variation of properties with concentration can best be explained in terms of three equilibria between five solute species M, M2, M+, M and e ... 

Cathodic disintegration can occur with lead, observable as a grey cloud of fine metal particles. Hydrogen evolved on the surface of the lead can be absorbed if the current density is sufficiently high . Above this level, avalanche penetration can occur, feadipg to the formation of lead hydride, which leads to disintegration in the manner described . Electrochemical implantation pf alkali metals Can also lead to disintegration, ... 

The anions MeF6 and X approach each other closely to form the heptacoordinated complex MeF6X(n+1)", or separate from one another, according to the polarization potential of the outer-sphere cation (alkali metal cation -M+). This process is unique in that the mode frequencies of the complexes remain practically unchanged despite varying conditions. This particular stability of the complexes is due to the high charge density of Ta5+ and Nbs+. 

For alkali modified noble and sp-metals (e.g. Cu, Al, Ag and Au), where the CO adsorption bond is rather weak, due to negligible backdonation of electronic density from the metal, the presence of an alkali metal has a weaker effect on CO adsorption. A promotional effect in CO adsorption (increase in the initial sticking coefficient and strengthening of the chemisorptive CO bond) has been observed for K- or Cs-modified Cu surfaces as well as for the CO-K(or Na)/Al(100) system.6,43 In the latter system dissociative adsorption of CO is induced in the presence of alkali species.43... 

Their special field of investigation dealt with the electrical and thermal properties of metals. More recently considerable attention has been paid to the question of the nature of the interatomic forces in metals, which are significant for properties such as density, compressibility, crystal energy, and hardness and it has been found possible to treat this problem in a reasonably satisfactory way for the case of the alkali metals, with a single valence electron per atom.8... 

The nonnuclear chemistry of Fr reduces to studies of coprecipitation in which Fr shows the behavior of the heavier alkali metal. Coprecipitation is followed by ion exchange to concentrate Fr Physical (mp, density, crystal parameters) and chemical (thermodynamics, solvation entropies) properties are theoretically derived or extrapolated from the trends exhibited by the other alkali metals. 

Aprotic polar solvents such as those listed in Table 8.1 are widely used in electrochemistry. In solutions with such solvents the alkali metals are stable and will not dissolve under hydrogen evolution (by discharge of the proton donors) as they do in water or other protic solvents. These solvents hnd use in new types of electrochemical power sources (batteries), with hthium electrodes having high energy density. 

The interstitial hydrides of transition metals differ from the salt-like hydrides of the alkali and alkaline-earth metals MH and MH2, as can be seen from their densities. While the latter have higher densities than the metals, the transition metal hydrides have expanded metal lattices. Furthermore, the transition metal hydrides exhibit metallic luster and are semiconducting. Alkali metal hydrides have NaCl structure MgH2 has rutile structure. 

Abstract Sonoluminescence from alkali-metal salt solutions reveals excited state alkali - metal atom emission which exhibits asymmetrically-broadened lines. The location of the emission site is of interest as well as how nonvolatile ions are reduced and electronically excited. This chapter reviews sonoluminescence studies on alkali-metal atom emission in various environments. We focus on the emission mechanism does the emission occur in the gas phase within bubbles or in heated fluid at the bubble/liquid interface Many studies support the gas phase origin. The transfer of nonvolatile ions into bubbles is suggested to occur by means of liquid droplets, which are injected into bubbles during nonspherical bubble oscillation, bubble coalescence and/or bubble fragmentation. The line width of the alkali-metal atom emission may provide the relative density of gas at bubble collapse under the assumption of the gas phase origin. 

---