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31.
Andrew L. Hector William Levason Mark E. Light Gillian Reid Kripasindhu Sardar Wenjian Zhang 《无机化学与普通化学杂志》2013,639(6):906-910
Crystalline CrOCl3 contains [Cl2OCr(μ‐Cl)2CrOCl2] molecules with two square pyramidal CrOCl4 units sharing a common edge and with the Cr–O arranged anti, a new structure type for transition metal MOX3 compounds. Crystals are monoclinic with space group P21/c, Z = 4, with a = 5.735(5), b = 13.738(7), c = 11.318(4) Å, α = 90°, β = 98.346(6)°, γ = 90°. Its IR and UV/Vis spectra are reported and compared with those of the C3v monomer found in the gas phase. Structures are also reported for M2[CrOCl5] (M = Cs or Rb) and show a pseudo‐octahedral anion. Cs2[CrOCl5] adopts a K2PtCl6‐type structure with [CrOCl5]2– ions randomly orientated, but Rb2[CrOCl5] is orthorhombic with space group Pnma with a = 13.6471(7), b = 9.9175(5), and c = 6.9562(4) Å. Rietveld refinement of the data on the rubidium salt gave Cr–O = 1.628(1), Cr–CltransO = 2.652(7), Cr–CltransCl = 2.239(8)–2.342(3) Å. Corresponding CrV oxide bromide species do not form. 相似文献
32.
Thorsten Will Michael C. Hutter Johann Jauch Volkhard Helms 《Journal of computational chemistry》2013,34(28):2485-2492
Besides all their conformational degrees of freedom, drug‐like molecules and natural products often also undergo tautomeric interconversions. Compared to the huge efforts made in experimental investigation of tautomerism, open and free algorithmic solutions for prototropic tautomer generation are surprisingly rare. The few freely available software packages limit their output to a subset of the possible configurational space by sometimes unwanted prior assumptions and complete neglection of ring‐chain tautomerism. Here, we describe an adjustable fully automatic tautomer enumeration approach, which is freely available and also incorporates the detection of ring‐chain variants. The algorithm is implemented in the MolTPC framework and accessible on SourceForge. © 2013 Wiley Periodicals, Inc. 相似文献
33.
Joseph T. Hill-Cousins Sofia S. Salim Youssef M. Bakar Richard K. Bellingham Mark E. Light Richard C.D. Brown 《Tetrahedron》2014
Ring-closing metathesis (RCM) and sequential Yb(OTf)3 promoted Diels–Alder reactions of sulfamide-linked enynes proceeded selectively in one-pot to afford a series of bicyclic and tricyclic sulfamides. Excellent levels of diastereoselectivity are observed for the cycloaddition step, with only the endo-adducts being isolated. The protocol was further extended to incorporate a one-pot RCM–cross metathesis (CM)–Diels–Alder sequence, permitting rapid access to high levels of molecular complexity from simple and easily accessible precursors. 相似文献
34.
Andreas Braeuer Robert Fabian Hankel Markus Konstantin Mehnert Julian Jonathan Schuster Stefan Will 《Journal of Raman spectroscopy : JRS》2015,46(11):1145-1149
We report a Raman technique applicable for the in situ analysis of the development of hydrogen bonds in the liquid water‐rich phase just before the onset of gas hydrate formation. Herewith, the phase transition as well as the working principle of hydrate formation inhibitors and promoters can be analyzed. © 2015 The Authors. Journal of Raman Spectroscopy published by John Wiley & Sons Ltd. 相似文献
35.
Will Perkins 《Random Structures and Algorithms》2015,47(1):163-173
We study an Achlioptas‐process version of the random k‐SAT process: a bounded number of k‐clauses are drawn uniformly at random at each step, and exactly one added to the growing formula according to a particular rule. We prove the existence of a rule that shifts the satisfiability threshold. This extends a well‐studied area of probabilistic combinatorics (Achlioptas processes) to random CSP's. In particular, while a rule to delay the 2‐SAT threshold was known previously, this is the first proof of a rule to shift the threshold of k‐SAT for . We then propose a gap decision problem based upon this semi‐random model. The aim of the problem is to investigate the hardness of the random k‐SAT decision problem, as opposed to the problem of finding an assignment or certificate of unsatisfiability. Finally, we discuss connections to the study of Achlioptas random graph processes. © 2014 Wiley Periodicals, Inc. Random Struct. Alg., 47, 163–173, 2015 相似文献
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38.
几种树脂对西红花糖苷的吸附性能的研究 总被引:3,自引:0,他引:3
本文系统研究了硅胶和几种国产吸附树脂对西红花提取物溶液的吸附与洗脱性能,包括树脂的筛选,洗脱剂的选择,并研究了pH,温度和西红花提取物的浓度对西红花提取在SZ-1吸附树脂上的吸附影响,结果表明,SZ-1吸附树脂对西红花提取物的吸附能力较强,洗脱能力为最好,其吸附性能和洗脱性能均优于常用色谱固定相硅胶,SZ-1吸附树脂的静态吸附容量为1.04g/g,动态吸附容量为0.5-0.6g/g,洗脱率可达98%以上,且吸附速度快,易于洗脱和再生。 相似文献
39.
Thermally Activated Delayed Fluorescence in a Y3N@C80 Endohedral Fullerene: Time‐Resolved Luminescence and EPR Studies
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Dr. Michal Zalibera Denis S. Krylov Dimitrios Karagiannis Paul‐Anton Will Frank Ziegs Sandra Schiemenz Prof. Dr. Wolfgang Lubitz Prof. Dr. Sebastian Reineke Dr. Anton Savitsky Dr. Alexey A. Popov 《Angewandte Chemie (International ed. in English)》2018,57(1):277-281
The endohedral fullerene Y3N@C80 exhibits luminescence with reasonable quantum yield and extraordinary long lifetime. By variable‐temperature steady‐state and time‐resolved luminescence spectroscopy, it is demonstrated that above 60 K the Y3N@C80 exhibits thermally activated delayed fluorescence with maximum emission at 120 K and a negligible prompt fluorescence. Below 60 K, a phosphorescence with a lifetime of 192±1 ms is observed. Spin distribution and dynamics in the triplet excited state is investigated with X‐ and W‐band EPR and ENDOR spectroscopies and DFT computations. Finally, electroluminescence of the Y3N@C80/PFO film is demonstrated opening the possibility for red‐emitting fullerene‐based organic light‐emitting diodes (OLEDs). 相似文献
40.
Will R. Gutekunst Athina Anastasaki Sungbaek Seo Alaina J. McGrath David J. Lunn Paul G. Clark Craig J. Hawker 《Journal of polymer science. Part A, Polymer chemistry》2017,55(5):801-807
A new di‐tert‐butyl acrylate (diTBA) monomer for controlled radical polymerization is reported. This monomer complements the classical use of tert‐butyl acrylate (TBA) for synthesis of poly(acrylic acid) by increasing the density of carboxylic acids per repeat unit, while also increasing the flexibility of the carboxylic acid side‐chains. The monomer is well behaved under Cu(II)‐mediated photoinduced controlled radical polymerization and delivers polymers with excellent chain‐end fidelity at high monomer conversions. Importantly, this new diTBA monomer readily copolymerizes with TBA to further the potential for applications in areas such as dispersing agents and adsorbents. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017 , 55, 801–807 相似文献