The effect of the iterative triple and quadruple cluster amplitudes on the adiabatic potential curve in the coupled cluster calculations of the ground electronic state of the Yb dimer

The dissociation energy, equilibrium internuclear distance, and spectroscopic constants for the ¹Σ ground state of the Yb₂ molecule are calculated. The relativistic effects are introduced through generalized relativistic effective core potentials with very high precision. The scalar relativistic coupled cluster method particularly well suited for closed‐shell van der Waals systems is used for the correlation treatment. Extensive generalized correlation basis sets were constructed and used. The relatively small corrections for high‐order cluster amplitudes and spin—orbit interactions are taken into account using smaller basis sets and the spin—orbit density functional theory. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011     

Correlation between Luminescence and EPR Spectroscopy as Evidence of Ytterbium Pair Formation in Li6Ln(BO3)3:Yb3+ (Ln=Gd,Y) Borate Single Crystals

Synthesized powders and grown single crystals of nominal compositions Li₆Ln(BO₃)₃:Yb³⁺ (Ln=Y, Gd) were investigated by means of powder and single‐crystal X‐ray diffraction (XRD), as well as optical near‐IR spectroscopy in conjunction with electron paramagnetic resonance (EPR) spectroscopy. The appearance of two distinct zero‐phonon lines suggests the existence of two kinds of Yb³⁺ ions in the single crystals. The XRD results exclude the possibility of a phase transition occurring between room and low temperatures. EPR spectra of single crystals show the presence of both isolated ions and pairs of ytterbium ions substituted for Y³⁺. A strong temperature dependence of the intensity of Yb–Yb pairs resonance lines coincides with temperature dependence of emission peak at 978 nm, confirming a common origin of the defect giving rise to these spectra. Calculated from EPR spectra, the distance between pairs of Yb³⁺ is in good agreement with crystallographic ones: R=3.856 Å, R_cryst=3.849 Å.     

Luminescence of europium and ytterbium ions in strontium hexaborate

We have studied the luminescent properties of Eu^2+/3+ and Yb²⁺ ions in strontium hexaborate SrB₆O₁₀ for excitation in the 120–400 nm region. The luminescence spectra of Ln²⁺ ions in SrB₆O₁₀ consist of overlapping bands in the 370–520 nm region, due to 5d → 4f transitions at several nonequivalent centers. In the excitation spectra, besides the bands associated with 4f → 5d transitions in the Ln²⁺ ions, we also observe a band in the 135–160 nm region due to the transitions O(2p) → B(2s,2p) within the borate anions. The luminescence of the Eu³⁺ ions is excited most efficiently in the region of the Eu³⁺ charge transfer band (λ_max = 226 nm). The results obtained are compared with data for Ln in other strontium borates. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 73, No. 6, pp. 770–774, November–December, 2006.     

Quasi-CW Diode Laser End-pumped Yb3+∶GlassMicrochip Laser

Quasi-CW diode-pumped Yb3+∶borate glass and Yb3+∶phosphate glass microchip lasers have been reported. From Yb3+∶phosphate glass laser, the maximum average output power was 31 mW and the optical-optical conversion efficiency was 5%.The maximum average output power was 18 mW, and optical-optical conversion efficiency was 3% for Yb3+∶borate glass laser.     

等离子体质谱(ICP-MS)测定高纯氧化镱中痕量稀土和非稀土杂质研究

本文报道ＩＣＰ－ＭＳ直接测定高纯（５Ｎ～６Ｎ）氧化镱中稀土和非稀土杂质的新方法．对ＩＣＰ－ＭＳ测定中的光谱干扰和基体效应进行了详细考察，结果表明：用镓作内标，可有效地补偿因氧化镱引起的基体效应．方法的检出限在０．０Ｘ－０．Ｘｎｇ／ｍＬ范围；相对标准偏差（ＲＳＤ）（ｎ＝７）＜１０％．已应用于高纯氧化镱的工艺流程及其产品分析．     

Synthesis of tertiary α-amino phosphonate by one-pot three-component coupling mediated by LPDE

A very mild, efficient and simple method for the synthesis of tertiary α-amino phosphonates is reported by reaction of an aldehyde, a secondary amine and trialkylphosphite in ethereal solution of lithium perchlorate, LPDE, at ambient temperature with high yields.     

Preparation of novel structural nanosized Y2O3 powders and their catalytic activity on the decomposition of NH4ClO4

For the first time, novel structural nanosized Y₂O₃ powders were successfully synthesized by the n-butanol soft-template method. X-ray diffraction, transmission electron microscopy, scanning electron microscopy and Raman spectroscopy were used to characterize the products. The results indicate that these products (calcined at 700°C) were comprised of many Y₂O₃ nanomembranes, and the nanomembranes could change into nanorods when calcined at 1000°C. Interestingly, differential thermal analysis studies suggested that the nanosized Y₂O₃ crystals had intense catalytic activity on the thermal decomposition of ammonium perchlorate.     

An appreciation of the chemical approach of V. V. Boldyrev to the study of the decomposition of solids

Professor Vladimir V. Boldyrev has made numerous important contributions to a wide range of chemical topics, not only limited to studies of the decompositions of solids. Of particular value has been his emphasis on exploring, in detail, the chemical steps participating in the thermal reactions of solids by carefully designed experiments that rely on more observational evidence than the run-of-the-mill collection of overall kinetic data. Some of these major contributions to both the theory and the uses of solid-state reactions are identified here and discussed in relation to his illuminating and fundamental mechanistic studies of the thermal decompositions of silver oxalate, ammonium perchlorate, potassium permanganate and the dehydration of copper sulfate pentahydrate.     

Vibrational spectral studies of L-citrullinium perchlorate

Infrared and Raman spectra of L-citrullinium perchlorate crystals have been recorded at room temperature. The vibrational assignments of the observed wavenumbers are proposed on the basis of group theoretical analysis. The presence of carbonyl group indicates that the molecule exists in the ionic form. The shifting of stretching and bending wavenumbers indicates the presence of extensive hydrogen bonding in the crystal. The anion fundamentals however continue to be degenerated. This suggests that its symmetry is not affected in the crystal.     

Synthesis and Crystal Structure of a Heteropentanuclear Yb(Ⅲ)-Cu (Ⅱ) Complex:[Yb_2Cu_3(O_2CCH_2CI)_(12)(H_2O)_8]·2H_2O

1INTRODUCTIONInterestinpolynuclearcomplexesisstimulatedbytherolestheyplayindifferentfields,e.g.heterogeneouscatalysis,bioinorganicchemistryandthedesignofmagneticmaterials.Since1985ill,considerableattentionshavebeengiventomolecularcomplexest'isimultaneouslycomprisingdandfmetalionsduetotheirspecialmagneticproperties.Coupledpolyr^uclearsystemscontaining3delementshavebeenextensivelyinvestigatedL,3,butonlyafew,derivedfromcarboxylatesL4--63,thatcontainbothtransitionandrare--earthmetalionshavebe…