New observation of the , 1Δg, and 2Πg states and molecular constants with all Li2, Li2, and LiLi data

This paper reports our new observation of the , 1³Δ_g (v = 2–4), and 2³Π_g (v = 2–8) states of ⁶Li⁷Li by continuous wave perturbation facilitated optical–optical double resonance spectroscopy. Combining our new experimental term values of ⁶Li⁷Li with the available experimental data of ⁶Li₂ and ⁷Li₂, molecular constants and potential energy curves by Rydberg–Klein–Rees and direct-potential-fit techniques have been determined. Born-Oppenheimer breakdown parameters of the Li₂ 1³Δ_g and 2³Π_g states are calculated.     

A strongly blue-emitting heptametallic [Dy(III)7] centered-octahedral single-molecule magnet

The employment of 2-(β-naphthalideneamino)-2-(hydroxymethyl)-1-propanol and 2-aminoisobutyric acid in dysprosium chemistry has led to the isolation of a novel heptanuclear [Dy(III)(7)] cluster displaying single-molecule-magnetism behavior and blue-emitting properties.     

Stereochemistry of photosolvolysis of a chiral, 18O-labeled 1-arylethyl acetate

The stereochemistry of photosolvolysis of ($\text{R}$)-(+)-1-(3,5-dimethoxyphenyl)ethyl acetate-$\text{ether-}{}^{18}\text{O}$ in methanol-water and 2,2,2-trifluoroethanol has been determined. An ion pair intermediate was detected in the latter solvent.     

Identification of general linear relationships between activation energies and enthalpy changes for dissociation reactions at surfaces

The activation energy to reaction is a key quantity that controls catalytic activity. Having used ab inito calculations to determine an extensive and broad ranging set of activation energies and enthalpy changes for surface-catalyzed reactions, we show that linear relationships exist between dissociation activation energies and enthalpy changes. Known in the literature as empirical Br?nsted-Evans-Polanyi (BEP) relationships, we identify and discuss the physical origin of their presence in heterogeneous catalysis. The key implication is that merely from knowledge of adsorption energies the barriers to catalytic elementary reaction steps can be estimated.     

N-Phenyltriazolinedione as an efficient, selective, and reusable reagent for the oxidation of thiols to disulfides

N-Phenyltriazolinedione is an efficient and chemoselective reagent for the oxidation of thiols to their corresponding symmetrical disulfides. The method is applicable to aromatic, aliphatic, and bi-functional thiols. The one-pot reaction takes a few minutes (in most cases studied) for completion and after a simple work-up affords the corresponding symmetrical disulfides in very good to excellent yields. Furthermore, the reaction could be performed with the same results in the absence of solvent for liquid thiols.     

Uncertainty Propagation in Layered Unsaturated Soils

This study analyzes the wetting front migration in layered unsaturated soils which have uncertain hydraulic properties. A Monte Carlo scheme was used to propagate the uncertainty of hydraulic parameters. RANUF, a computer program, was developed to solve the one-dimensional, pressure-based form of Richards' equation and to implement the Monte Carlo scheme.Uncertainty propagation was investigated for two-layered soils of various alternating fine over coarse or coarse over fine layer configurations and of various nonrandomized and/or randomized layer arrangements. The effects of changing initial and boundary conditions were also investigated. Randomness was introduced via the saturated hydraulic conductivity, K _s, which was assumed to be distributed lognormally with a coefficient of variation of about 10 percent.It was found that in layered soils the mean profiles (i.e., water content and pressure head) remained essentially unchanged regardless of which layer (or layers) was (or were) randomized; however, the variance profiles were affected. Also, higher uniform initial water content tended to inhibit uncertainty, but higher supply rates did not show any characteristic trend for uncertainty behavior.     

Enhancing the performance of a linear Fresnel reflector using nanofluids and internal finned absorber

The objective of this paper is to investigate thermal efficiency enhancement methods in a linear Fresnel reflector (LFR) with evacuated tube receiver. The primary reflectors of the collector are flat mirrors of 27 m² total net aperture, while the secondary reflector has a parabolic shape. The working fluid is Syltherm 800, and the analysis is performed for temperatures up to 650 K. The use of nanofluids and internal fins is the investigated thermal enhancement methods in the receiver of the LFR. The examined nanofluid is Syltherm/CuO for concentrations 2, 4 and 6%, while the examined internal fins are 8 longitudinal fins which are symmetrically located in the absorber. The LFR is examined using nanofluids and pure thermal oil in smooth or finned absorber. According to the final results, the maximum thermal efficiency enhancement is up to 1% and it is greater for higher operating temperature levels. The use of internal fins is better enhancement method compared to the use of nanofluids, while the combination of these two techniques leads to the highest possible performance. For the inlet temperature of 600 K with 200 L min^?1 flow rate, the thermal efficiency enhancement with 4% nanofluid and finned absorber is found 0.82%, while it is found 0.61 and 0.28% with finned absorber with pure oil and 4% nanofluid with smooth absorber, respectively.

     

Study of hyperfine interactions by Mössbauer spectroscopy in mixed crystals

A mixed crystal technique, appropriate for the Mössbauer study of hyperfine interactions in molecules with D > 0, is described. It is based on the magnetic behavior of a |±$\text{1}\text{2}$〉 Kramers doublet. The method has been applied with success to the study of hyperfine structure of Fe(methdtc)₂Br.     

To wet or not to wet? Dispersion forces tip the balance for water ice on metals

Despite widespread discussion, the role of van der Waals dispersion forces in wetting remains unclear. Here we show that nonlocal correlations contribute substantially to the water-metal bond and that this is an important factor in governing the relative stabilities of wetting layers and 3D bulk ice. Because of the greater polarizability of the substrate metal atoms, nonlocal correlations between water and the metal exceed those between water molecules within ice. This sheds light on a long-standing problem, wherein common density functional theory exchange-correlation functionals incorrectly predict that none of the low temperature experimentally characterized icelike wetting layers are thermodynamically stable.