Resonance structure in the Li^- photodetachment cross section

We report on the first observation of resonance structure in the total cross section for the photodetachment of Li^-. The structure arises from the autodetaching decay of doubly excited ^1P states of Li^- that are bound with respect to the 3p state of the Li atom. Calculations have been performed for both Li^- and H^- to assist in the identification of these resonances. The lowest lying resonance is a symmetrically excited intrashell resonance. Higher lying asymmetrically excited intershell states are observed which converge on the Li(3p) limit.Comment: 4 pages, 2 figure, 19 references, RevTeX, figures in ep

The Synthesis and Characterization of New, Robust Titanium (IV) Scorpionate Complexes

Titanium complexes possessing sterically encumbered ligands have allowed for the preparation of reactive moieties (imido, alkylidene and alkylidyne species) relevant to reactions such as olefin polymerization and alkyne hydroamination. For this reason, we have targeted robust scorpionate ancillary ligands to support reactive titanium centers. Thus, a series of titanium complexes were synthesized using an achiral oxazoline-based scorpionate ligand, tris(4,4-dimethyl-2-oxazolinyl)phenyl borate [To^M^]^-^ as well as the related chiral ligand, tris(4-isopropyl-2-oxazolinyl)phenyl borate [To^P^]^-^. The complex [Ti(κ^3^- To^M^)Cl~3~] was prepared in moderate yield (43%) by the rapid (<1 min at room temperature) reaction of Li[To^M^] and TiCl~4~ in methylene chloride; this new compound was characterized by ^1^H NMR spectroscopy as the expected C~3v~-symmetric species. One route to Ti (IV) alkyls involves salt metathesis; accordingly, syntheses of [To^M^]Ti alkyl complexes by interaction of [Ti(κ^3^-To^M^)Cl~3~] and one or three equivalents of alkylating agents, such as benzyl potassium (KCH~2~C~6~H~5~), trimethylsilylmethyl
lithium (LiCH~2~Si(CH~3~) ~3~), or neopentyl lithium (LiCH~2~C(CH~3~)~3~) are currently under investigation. The complexes [Ti(=NBut) (κ~3~-To^M^)(Cl)(Bu^t^py)] (Bu^t^py=4 tert-butylpyridine) and [Ti(=NBu^t^) (κ~3~-To^P^)(Cl)(Bu^t^py)] were synthesized by reaction of the known Ti imido [Ti(=NBu^t^)(Cl)~2~(Bu^t^py)~2~] with Li[To^M^] or Li[To^P^], respectively, by stirring overnight in methylene chloride at ambient temperature. The complexes were identified using ^1^H NMR spectroscopy, ^1^H-^13^C HMQC and ^1^H-^15^N HMBC correlation experiments

Beryllium in Ultra-Lithium-Deficient Halo Stars - The Blue Straggler Connection

There are nine metal-deficient stars that have Li abundances well below the Li plateau that is defined by over 100 unevolved stars with temperatures above 5800 K and values of [Fe/H] $<$ $-$1.0. Abundances of Be have been determined for most of these ultra-Li-deficient stars in order to investigate the cause of the Li deficiencies. High-resolution and high signal-to-noise spectra have been obtained in the Be II spectral region near 3130 \AA for six ultra-Li-deficient stars with the Keck I telescope and its new uv-sensitive CCD on the upgraded HIRES. The spectrum synthesis technique has been used to determine Be abundances. All six stars are found to have Be deficiencies also. Two have measurable - but reduced - Be and four have only upper limits on Be. These results are consistent with the idea that these Li- and Be-deficient stars are analogous to blue stragglers. The stars have undergone mass transfer events (or mergers) which destroy or dilute both Li and Be. The findings cannot be matched by the models that predict that the deficiencies are due to extra-mixing in a subset of halo stars that were initially rapid rotators, with the possible exception of one star, G 139-8. Because the ultra-Li-deficient stars are also Be-deficient, they appear to be genuine outliers in population of halo stars used to determine the value of primordial Li; they no longer have the Li in their atmospheres that was produced in the Big Bang.Comment: 17 pages of text, 12 figures, 3 tables Submitted to Ap

Effects of Li doping on H-diffusion in MgH2: A first-principles study

pre-printThe effects of Li doping in MgH2 on H-diffusion process are investigated, using first-principles calculations. We have identified two key effects: (1) The concentration of H vacancy in the þ1 charge state ðVþ1 H Þ can increase by several orders of magnitude upon Li doping, which significantly increases the vacancy mediated H diffusion rate. It is caused by the preferred charge states of substitutional Li in the 1 state ðLi1 MgÞ and of interstitial Li in the þ1 state ðLiþ1 i Þ, which indirectly reduce the formation energy of Vþ1 H by up to 0.39eV depending on the position of Fermi energy. (2) The interaction between Vþ1 H and Li1 Mg is found to be attractive with a binding energy of 0.55 eV, which immobilizes the Vþ1 H next to Li1 Mg at high Li doping concentration. As a result, the competition between these two effects leads to large enhancement of H diffusion at low Li doping concentration due to the increased H-vacancy concentration, but only limited enhancement at high Li concentration due to the immobilization of H vacancies by too many Li

The generalized 3-connectivity of Cartesian product graphs

The generalized connectivity of a graph, which was introduced recently by Chartrand et al., is a generalization of the concept of vertex connectivity. Let $S$ be a nonempty set of vertices of $G$, a collection $\{T_1,T_2,...,T_r\}$ of trees in $G$ is said to be internally disjoint trees connecting $S$ if $E(T_i)\cap E(T_j)=\emptyset$ and $V(T_i)\cap V(T_j)=S$ for any pair of distinct integers $i,j$, where $1\leq i,j\leq r$. For an integer $k$ with $2\leq k\leq n$, the $k$-connectivity $\kappa_k(G)$ of $G$ is the greatest positive integer $r$ for which $G$ contains at least $r$ internally disjoint trees connecting $S$ for any set $S$ of $k$ vertices of $G$. Obviously, $\kappa_2(G)=\kappa(G)$ is the connectivity of $G$. Sabidussi showed that $\kappa(G\Box H) \geq \kappa(G)+\kappa(H)$ for any two connected graphs $G$ and $H$. In this paper, we first study the 3-connectivity of the Cartesian product of a graph $G$ and a tree $T$, and show that $(i)$ if $\kappa_3(G)=\kappa(G)\geq 1$, then $\kappa_3(G\Box T)\geq \kappa_3(G)$; $(ii)$ if $1\leq \kappa_3(G)< \kappa(G)$, then $\kappa_3(G\Box T)\geq \kappa_3(G)+1$. Furthermore, for any two connected graphs $G$ and $H$ with $\kappa_3(G)\geq\kappa_3(H)$, if $\kappa(G)>\kappa_3(G)$, then $\kappa_3(G\Box H)\geq \kappa_3(G)+\kappa_3(H)$; if $\kappa(G)=\kappa_3(G)$, then $\kappa_3(G\Box H)\geq \kappa_3(G)+\kappa_3(H)-1$. Our result could be seen as a generalization of Sabidussi's result. Moreover, all the bounds are sharp.Comment: 17 page