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81.
[reaction: see text] The Pd-catalyzed cycloaddition of didehydrobiphenylenes 2a,b, generated from the corresponding 3-(trimethylsilyl)-2-biphenylenyl triflates with fluoride, furnishes the C3-symmetric trimers 1a,b in which the embedded triphenylene unit is distorted to increase the aromaticity of the central benzene ring. Cocyclization of 2a,b with dimethyl acetylenedicarboxylate provides the phenanthrene- and naphthalenecarboxylic ester analogues, depending on the catalyst used. 相似文献
82.
[reaction: see text] The first X-ray crystal structure of a mononuclear metallacyclopentadiene(alkyne) complex has been obtained. This type of metallacycle is believed to be the key intermediate in the cobalt-mediated [2 + 2 + 2]cycloaddition of alkynes. Thermal treatment leads to the generation of angular [4]phenylene, the X-ray structural details of which are described. Under photochemical conditions, the cobaltacycle isomerizes to a highly strained (cyclobutadieno)dibenzocyclooctatrienyne complex. 相似文献
83.
We compute the equilibrium crystal structure and phase stability of iron at the α(bcc)-γ(fcc) phase transition as a function of temperature, by employing a combination of ab initio methods for calculating electronic band structures and dynamical mean-field theory. The magnetic correlation energy is found to be an essential driving force behind the α-γ structural phase transition in paramagnetic iron. 相似文献
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Exploring the Potential of Fulvalene Dimetals as Platforms for Molecular Solar Thermal Energy Storage: Computations,Syntheses, Structures,Kinetics, and Catalysis 下载免费PDF全文
Dr. Karl Börjesson Dr. Dušan Ćoso Victor Gray Prof. Dr. Jeffrey C. Grossman Prof. Dr. Jingqi Guan Prof. Dr. Charles B. Harris Dr. Norbert Hertkorn Dr. Zongrui Hou Prof. Dr. Yosuke Kanai Dr. Donghwa Lee Justin P. Lomont Prof. Dr. Arun Majumdar Dr. Steven K. Meier Prof. Dr. Kasper Moth‐Poulsen Dr. Randy L. Myrabo Son C. Nguyen Prof. Dr. Rachel A. Segalman Prof. Dr. Varadharajan Srinivasan Dr. Willam B. Tolman Dr. Nikolai Vinokurov Prof. Dr. K. Peter C. Vollhardt Dr. Timothy W. Weidman 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(47):15587-15604
A study of the scope and limitations of varying the ligand framework around the dinuclear core of FvRu2 in its function as a molecular solar thermal energy storage framework is presented. It includes DFT calculations probing the effect of substituents, other metals, and CO exchange for other ligands on ΔHstorage. Experimentally, the system is shown to be robust in as much as it tolerates a number of variations, except for the identity of the metal and certain substitution patterns. Failures include 1,1′,3,3′‐tetra‐tert‐butyl ( 4 ), 1,2,2′,3′‐tetraphenyl ( 9 ), diiron ( 28 ), diosmium ( 24 ), mixed iron‐ruthenium ( 27 ), dimolybdenum ( 29 ), and ditungsten ( 30 ) derivatives. An extensive screen of potential catalysts for the thermal reversal identified AgNO3–SiO2 as a good candidate, although catalyst decomposition remains a challenge. 相似文献
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J. B. Li R. Miller D. Vollhardt G. Weidemann H. Möhwald 《Colloid and polymer science》1996,274(10):995-999
The Axisymmetric Drop Shape Analysis (ADSA) has been used to study the surface pressure/area isotherms of insoluble surfactant monolayers. The continuous measurement of surface tension as a function of surface area by increasing and decreasing the drop volume allows to investigate the phase transitions in monolayers. The isotherms of two phospholipids, dipalmitoyl phosphatidyl choline (DPPC) and dimyristoyl phosphatidyl ethanolamine (DMPE), show good agreement with those measured by using a conventional Langmuir-Blodgett film balance, except in the coexistence region. The observed disagreements are discussed in terms of differences in compression rate, curvature of the surface and effect of impurities. Evidence of possible geometric effects on monolayer domain formation and growth is given on the basis of BAM images.Due to the small total surface area, the ADSA technique provides advantages as regards homogeneity of temperature, surface pressure, surface concentration and the symmetry of area changes. 相似文献
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It is shown that in the presence of superflow, υs, parallel to a strong magnetic field H (|H| ? 20 Oe), the uniform texture becomes unstable againts the formation of a one dimensional soliton lattice forυs ? υc2 (≈1 mm/s). The period of the resulting soliton lattice as well as the related NMR frequencies are determined as functions of υs. 相似文献