薁，苯并环丁二烯和戊搭烯的拓扑共振能

为了阐明芳香性及磁性原因，用Ａｉｈａｒａ提出的ＴＲＥ概念计算了　，苯并环丁二烯和戊搭烯等烃的共振能，环共振能和环电流．计算结果表明　因有正共振能具有芳香性并产生反磁性环电流，而苯并环丁二烯和戊塔烯因有负共振能具有反芳香性并产生顺磁性环电流．     

Heterotermetallic Indium Lithium Halostannates: Low‐Temperature Single‐Source Precursors for Tin‐Rich Indium Tin Oxides and Their Application for Thin‐Film Transistors

The syntheses and structural elucidation of dimeric [Sn(OCyHex)₂] ( 1 ), its corresponding (cyclohexoxy)alkalistannates(II) [{M(OCyHex)₃Sn}₂] (M=Li ( 2 ), Na ( 3 ), K ( 4 )), and of the first heteroleptic heterotermetallic Li/In/Sn–haloalkoxide clusters [X₂In{LiSn₂(OCyHex)₆}] (X=Br ( 5 ), Cl ( 6 )) with a double seco‐norcubane core are reported. They represent suitable precursors for new amorphous indium tin oxide (ITO) materials as transparent conducting oxides with drastically reduced concentrations of expensive indium, while maintaining their high electrical performance. In fact, compounds 5 and 6 were successfully degraded under dry synthetic air at relatively low temperature, resulting in new semiconducting tin‐rich ITOs homogeneously dispersed in a tin oxide/lithium oxide matrix. The obtained particles were investigated and characterised by different analytical techniques, such as powder XRD, IR spectroscopy, SEM, TEM and energy‐dispersive X‐ray spectroscopy (EDX). The analytical data confirm that the final materials consist of tin‐containing indium oxide embedded in an amorphous tin oxide matrix. The typical broadening and shift of the observed indium oxide reflections to higher 2θ values in the powder XRD pattern clearly indicated that tin centres were successfully incorporated into the In₂O₃ lattice and partially occupied In³⁺ sites. Investigations by EDX mapping proved that Sn was homogeneously distributed in the final materials. Thin‐film field‐effect transistors (FETs) were fabricated by spin‐coating of silicon wafers with solutions of 5 in toluene and subsequent calcination under dry air (25–700 °C). The FETs prepared with precursor 5 exhibited excellent performances, as shown by a charge‐carrier mobility of 6.36×10^?1 cm² V^?1 s (calcination at 250 °C) and an on/off current ratio of 10⁶.     

Transient thermal response of phase change material embedded with graphene nanoplatelets in an energy storage unit

This research was focused on the preparation of mixed metal oxide pigments doped with terbium ions with the general formula of Sn_0.752Co_0.08P_0.16Tb_0.008O₂. These pigments were synthesised by solid-state reactions at high calcination temperatures. The temperature range was chosen from 1350 to 1500 °C. The goal was to develop conditions for the synthesis of this type of pigments and to determine the influence of terbium ions on the colour properties of these compounds. All prepared pigments were applied into the organic matrix and into the ceramic glaze. Thermal behaviours of the reaction mixtures were investigated using differential thermal and thermogravimetric analysis. Synthesised Sn_0.752Co_0.08P_0.16Tb_0.008O₂ pigments were compared with concurrently prepared pigment Sn_0.760Co_0.08P_0.16O₂ depending on the calcination temperature with respect to the colour properties in CIE L*a*b* colour space, furthermore from the point of particle size distribution and phase composition. All compounds provided blue–violet hues that are stable in ceramic glazes.     

Ni(II), Cu(II), and Zn(II) complexes of tetradentate schiff base containing two thiadiazoles units: Structural,spectroscopic, magnetic properties,and molecular modeling studies

Four new mononuclear metal complexes with a mononucleating Schiff base ligand containing two thiadiazoles units have been synthesized. The ligand and metal complexes were characterized by elemental analyses, IR, ¹H, and ¹³C NMR, UV–vis, ESR, electrospray ionization mass spectra, and magnetic susceptibility measurements. Electronic spectra, magnetic susceptibility measurement, and molecular modeling studies support octahedral geometry around the Ni(II), Cu(II), and Zn(II) ions. The magnetic properties were investigated, and ferromagnetic coupling is observed in Cu(II) and Ni(II) complexes. In addition, total energy and heat of formation calculated for conformers of the Schiff base ligand by the semiempirical AM1 calculations have shown that E,Z‐isomer of the ligand is more stable (about 5.3 kcal/mol) than E,E‐ and Z,Z‐isomers. © 2008 Wiley Periodicals, Inc. Heteroatom Chem 19:700–712, 2008; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20496     

Peptide-coated CdS quantum dots for the optical detection of copper(II) and silver(I)

Gly-His-Leu-Leu-Cys coated CdS quantum dots detected Cu2+ and Ag+ selectively with high sensitivity, below 0.5 microM.     

The effect of intramolecular‐hydrogen bonds in the synthesis of novel imidates from a 13‐membered dioxadithia crown ether diester

The synthesis and structural properties of three novel imidates, 11,13‐bis‐(2‐amino‐ethylimino)‐1,10‐dioxa‐4,7‐dithiacyclotridecane ( 2 ), 11,13‐bis‐(3‐aminopropylimino)‐1,10‐dioxa‐4,7‐dithiacyclotridecane, ( 3 ) and 2,11‐dioxa‐5,8‐dithia‐13,16,19,22‐tetraazabicyclo[10.10.1]tricosa‐1(22),12‐diene, ( 4 ) have been described. These compounds were synthesized by treating 1,10‐dioxa‐4,7‐dithiacyclotridecane‐11,13‐diester ( 1 ) with the appropriate diamine under N₂ and their structures have been characterised by elemental analyses, ¹H‐ and ¹³C‐nmr, ir, and mass spectral studies. Elemental analyses and spectroscopic data support the proposed imidate structures. In addition, total energy and heat of formation (Figure 2) calculated for imidates 2a‐4a and 2b‐4b by the semiempirical AM1 calculations have shown that imidates 2b‐4b having intramolecular hydrogen bonds are more stable (5‐10 kcal/mol) than compounds 2a‐4a .     

Heterotermetallic indium lithium halostannates: low-temperature single-source precursors for tin-rich indium tin oxides and their application for thin-film transistors

The syntheses and structural elucidation of dimeric [Sn(OCyHex)(2)] (1), its corresponding (cyclohexoxy)alkalistannates(II) [{M(OCyHex)(3)Sn}(2)] (M = Li (2), Na (3), K (4)), and of the first heteroleptic heterotermetallic Li/In/Sn-haloalkoxide clusters [X(2)In{LiSn(2)(OCyHex)(6)}] (X = Br (5), Cl (6)) with a double seco-norcubane core are reported. They represent suitable precursors for new amorphous indium tin oxide (ITO) materials as transparent conducting oxides with drastically reduced concentrations of expensive indium, while maintaining their high electrical performance. In fact, compounds 5 and 6 were successfully degraded under dry synthetic air at relatively low temperature, resulting in new semiconducting tin-rich ITOs homogeneously dispersed in a tin oxide/lithium oxide matrix. The obtained particles were investigated and characterised by different analytical techniques, such as powder XRD, IR spectroscopy, SEM, TEM and energy-dispersive X-ray spectroscopy (EDX). The analytical data confirm that the final materials consist of tin-containing indium oxide embedded in an amorphous tin oxide matrix. The typical broadening and shift of the observed indium oxide reflections to higher 2θ values in the powder XRD pattern clearly indicated that tin centres were successfully incorporated into the In(2)O(3) lattice and partially occupied In(3+) sites. Investigations by EDX mapping proved that Sn was homogeneously distributed in the final materials. Thin-film field-effect transistors (FETs) were fabricated by spin-coating of silicon wafers with solutions of 5 in toluene and subsequent calcination under dry air (25-700?°C). The FETs prepared with precursor 5 exhibited excellent performances, as shown by a charge-carrier mobility of 6.36×10(-1) cm(2) V(-1) s (calcination at 250?°C) and an on/off current ratio of 10(6).     

A photodimerization approach to crosslink and functionalize microgels

Microgels were prepared within reverse micelles via photocrosslinking. Gelation resulted from the [2 + 2] photodimerization reaction of nitrocinnamoyl (NC) groups on multi-arm polyethylene glycol (PEG) or gelatin. Because of the potential for biomedical and chemical applications, immobilization capacity within the microgels was investigated. Quantum dots (QDs), for example, share a similar size scale with proteins and can be physically trapped within the microgels. In addition, the optoelectronic properties of QDs could be utilized for analytical, imaging, and therapeutic purposes. Small molecules and recognition sequences (e.g. biotin) can also be covalently immobilized within the microgel networks through the photodimerization reaction. In the presence of biotin-PEG-NC, the resulting microgels added to streptavidin-coated plates. The microgel properties such as biodegradability and degree of swelling may be engineered for particular applications including targeted monitoring and controlled drug delivery systems.     

Surface chemistry studies of (CdSe)ZnS quantum dots at the air-water interface

Trioctylphosphine oxide- (TOPO-) capped (CdSe)ZnS quantum dots (QDs) were prepared through a stepwise synthesis. The surface chemistry behavior of the QDs at the air-water interface was carefully examined by various physical measurements. The surface pressure-area isotherm of the Langmuir film of the QDs gave an average diameter of 4.4 nm, which matched very well with the value determined by transmission electron microscopy (TEM) measurements if the thickness of the TOPO cap was counted. The stability of the Langmuir film of the QDs was tested by two different methods, compression/decompression cycling and kinetic measurements, both of which indicated that TOPO-capped (CdSe)ZnS QDs can form stable Langmuir films at the air-water interface. Epifluorescence microscopy revealed the two-dimensional aggregation of the QDs in Langmuir films during the early stage of the compression process. However, at high surface pressures, the Langmuir film of QDs was more homogeneous and was capable of being deposited on a hydrophobic quartz slide by the Langmuir-Blodgett (LB) film technique. Photoluminescence (PL) spectroscopy was utilized to characterize the LB films. The PL intensity of the LB film of QDs at the first emission maximum was found to increase linearly with increasing number of layers deposited onto the hydrophobic quartz slide, which implied a homogeneous deposition of the Langmuir film of QDs at surface pressures greater than 20 mN.m(-1).