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911.
Lin YC Sundholm D Jusélius J Cui LF Li X Zhai HJ Wang LS 《The journal of physical chemistry. A》2006,110(12):4244-4250
Coinage and alkali metal mixed clusters, M4Na- (M = Cu, Au) have been investigated experimentally using photoelectron spectroscopy and computationally at correlated ab initio levels. The related Cu4Li-, Ag4Li-, Ag4Na-, and Au4Li- clusters as well as the neutral Cu4Li2 and Cu4Na2 clusters have also been studied computationally. The calculations show that the two lowest isomers of the negatively charged clusters include a pyramidal C4v structure and a planar C2v species. For Cu4Li- and Cu4Na-, the C4v structure is calculated at correlated ab initio level to be 30.9 and 16.9 kJ/mol below the planar C2v isomer, whereas the planar isomers of Au4Li- and Au4Na- are found to be 29.7 and 49.4 kJ/mol below the pyramidal ones. For Ag4Li- and Ag4Na-, the pyramidal isomers are the lowest ones. Comparison of the calculated and measured photoelectron spectra of Cu4Na- and Au4Na- shows that the pyramidal Cu4Na- cluster of C4v symmetry and the planar Au4Na- of C2v symmetry are detected experimentally. Calculations of the magnetically induced current density in Cu4Li- and Cu4Li2 using the Gauge-Including Magnetically Induced Current (GIMIC) method show that strong ring currents are sustained mainly by the highest-occupied molecular orbital primarily derived from the Cu 4s. The GIMIC calculations thus show that the Cu4(2-) ring is -aromatic and that the d orbitals do not play any significant role for the electron delocalization effects. The present study does not support the notion that the square-planar Cu4(2-) is the first example of d-orbital aromatic molecules. 相似文献
912.
In the presence of DMSO as co-solvent and under vigorous agitation, baker's yeast in water was found to reduce substituted fluorenones to the corresponding fluorenols in good to excellent enantioselectivities. 相似文献
913.
Bai J Cui LF Wang J Yoo S Li X Jellinek J Koehler C Frauenheim T Wang LS Zeng XC 《The journal of physical chemistry. A》2006,110(3):908-912
Results of a combined photoelectron spectroscopy and first-principles density-functional study of SiN- clusters in the size range 20 or= 20. For 28 相似文献
914.
Dong‐Fei Li Xiu‐Lan Jiang Biao Cao Zuo‐Wei Li Shu‐Qin Gao Mi Zhou Zhi‐Wei Men Nai‐Cui Zhai 《Journal of Raman spectroscopy : JRS》2010,41(7):776-779
The Raman spectra of liquid carbon disulfide (CS2) diluted with benzene (C6H6) have been measured. By changing the CS2, the concentration, we found an asymmetric wavenumber shift phenomenon. With decreasing concentration of CS2, the position of the ν1 (655 cm−1) band remains practically unchanged, and the 2ν2 (796 cm−1) band shifts toward higher wavenumbers. To interpret this asymmetric wavenumber shift phenomenon of the Fermi doublet ν1 − 2ν2 in the Raman spectra satisfactorily, we propose a modified Bertran model. The values of the Fermi resonance (FR) parameters of CS2 at different concentrations were calculated using the Bertran equations. In addition, we found the fundamental ν2, which should be independent of the FR interaction, shifted to higher wavenumbers as the concentration decreased. This shift was probably driven by the tuning of the FR. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
915.
Yongbo Bian Jin Guo Changzheng Gao Chunguang Li Hong Li Jia Wang Bin Cui Xiaofeng He Chao Li Na Li Guoqiang Li Qiang Zhang Xueqiang Zhang Jibao Meng Yusheng He 《Physica C: Superconductivity and its Applications》2010,470(15-16):617-621
This paper presents a miniaturized high performance high temperature superconducting (HTS) microwave receiver front-end subsystem, which uses a mini stirling cryocooler to cool a high selective HTS filter and a low noise amplifier (LNA). The HTS filter was miniaturized by using specially designed compact resonators and fabricating with double-sided YBCO films on LAO substrate which has a relatively high permittivity. The LNA was specially designed to work at cryogenic temperature with noise figure of 0.27 dB at 71 K. The mini cryocooler, which is widely used in infrared detectors, has a smaller size (60 mm × 80 mm × 100 mm) and a lighter weight (340 g) than the stirling cryocoolers commonly used in other HTS filter subsystem. The whole front-end subsystem, including a HTS filter, a LNA, a cryocooler and the vacuum chamber, has a size of only φ120 mm × 175 mm and a weight of only 3.3 kg. The microwave devices inside the subsystem are working at 71.8 K with a consumed cooling power of 0.325 W. The center frequency of this subsystem is 925.2 MHz and the bandwidth is 2.7 MHz (which is a fractional bandwidth of 0.2%), with the gain of 19.75 dB at center frequency and the return loss better than ?18.11 dB in the pass band. The stop band rejection is more than 60 dB and the skirt slope is exceeding 120 dB MHz?1. The noise figure of this subsystem is less than 0.8 dB. This front-end subsystem can be used in radars and communication systems conveniently due to it’s compact size and light weight. 相似文献
916.
X. Cui L. Dong W. Zhang W. Wu Y. Tang D. Erni 《Applied physics. B, Lasers and optics》2010,101(3):601-609
Motivated by the fabrication potential of multi-walled carbon nanotube structures, we numerically investigated a paired structure
consisting of two metallic spheres each grown on one end of a multi-walled nanotube. The paired two-segmented structure is
capable to convert free-space radiation into an intense near-field, and, hence, acting as an optical antenna. Vice versa the
presence of the two nanotubes enable a current source at the antenna feed to more efficiently energy into the radiation modes,
resulting e.g. in correspondingly altered luminescence lifetimes when an excited single molecule is placed in the feed point.
Furthermore, the structure represents a mean to localize light on a sub-wavelength scale within different materials, which
is interesting in the context of a fabrication technology for integrated nanophotonic components with different material combinations.
The optical properties of the nano-antenna are analyzed by means of numerical simulations using the finite element method.
Our investigations have revealed that the field enhancement, the resonances, and the radiation patterns can be easily tuned
since all these quantities strongly depend on the size of the nanotubes and the metallic spheres, as well as on their material
properties The structure we propose here carries a great potential for bio-sensing, for tip-enhanced spectroscopy applications,
and for interfacing integrated photonic nano circuits. 相似文献
917.
主要介绍代数迭代法在傅里叶变换计算层析成像光谱仪数据处理中的应用。根据4种不同投影数进行了光谱切片重建,并对光谱相似性进行了比较。针对ART算法可应用少数投影重建的特点,专门在45个投影数时,采用不同迭代系数进行了重建,并进行了比较。最后,对实际场景进行了光谱切片重建。 相似文献
918.
大鼠肾脏糖胺聚糖的种类及二糖组成分析 总被引:1,自引:0,他引:1
采用两步酶解和离子交换色谱从Wistar大鼠肾脏中提取糖胺聚糖,以醋酸纤维素薄膜电泳分析糖胺聚糖种类,以弱阴离子交换色谱分离各种糖胺聚糖.纯化后的糖胺聚糖分别经特定糖胺聚糖酶裂解,采用强阴离子交换高效液相色谱(SAX-HPLC)紫外检测分析其二糖组成.结果表明,Wistar大鼠肾脏糖胺聚糖主要由硫酸乙酰肝素和少量硫酸皮肤素组成.硫酸乙酰肝素含有8种二糖,其中含有乙酰基二糖总含量高达77.6%,非硫酸化二糖(Ⅳ-A)含量为59.7%;硫酸皮肤素含有6种二糖,其中单硫酸化二糖总含量为54.8%,非硫酸化二糖含量为32.9%. 相似文献
919.
我国草地分布面积广,退化情况严重,实时、准确地监测草地的生态状况,对于区域气候、碳循环研究以及经济发展具有重要意义。利用地面实测光谱数据进行了高光谱草地退化监测研究。选择内蒙古呼伦贝尔市的温性草甸草原为研究对象,测量了草甸草原的羊草、克氏针茅、冷蒿等多种植物的叶片、冠层以及多种植物混合的群落反射率光谱数据。通过有效的光谱特征参量化方法,提取叶片和冠层光谱的光谱特征,准确区分了草甸草原的几种建群和退化指示草本植物,验证结果表明光谱识别的精度高于95%。以此为基础,利用线性光谱混合模型对群落植被的混合光谱数据进行混合光谱分解,得到各组分的覆盖度,误差在5%以内。该文的研究结果为高光谱遥感草地监测提供了有力依据。 相似文献
920.
Variation of crystal structure of natural clinochlore with pressure was investigated by the approach of diamond anvil cell (DAC) and in situ micro-Raman spectroscopic measurement at 200 degrees C and up to 7.7 GPa. The 481 and 786 cm(-1) peaks shift towards high-frequency linearly with increasing pressure at 200 degrees C. The linear relations between Raman shift (N, cm(-1)) and pressure (P, GPa) for the two peaks are: N = 11.136P+482.6 (R2 = 0.987 4) and N = 5.055P+785.7 (R2 = 0.983 7), respectively. The 865 cm(-1) peak arising from the stretching mode of the Si-O(nb) shifts slightly because of the strong repulsion between T cations at the tetrahedral sites and M cations at the octahedral sites in the TOT layer. Raman shift of 481 cm(-1) and 786 means the shortening of the length of M-O(br) and Si-CO(br) bonds since the peaks are contributed by the stretching mode of the M-O(br) and Si-O(br) respectively. No phase transition of clinochlore under the experimental condition was found. The results indicate that chlorite minerals may be stable at least at a depth of 80-90 km in the cold subduction zones, and the fluid derived from chlorite dehydration may be an important fact for earthquake occurrence in the subduction zones. 相似文献