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1.
Ray Leslie Withers Carlos Otero-Diaz Adrian Gómez-Herrero Albert Prodan Lasse Norén 《Journal of solid state chemistry》2005,178(10):3159-3168
Ternary derivatives of 1T-TaS2 have been synthesized and the variation in the highly structured diffuse intensity distributions characteristic of such materials carefully monitored to investigate the effect that such substitution has upon the band structures and Fermi surfaces (FSs) of the materials. Removal of d electrons via the replacement of Ta ions with lower valent transition metal ions leads to a systematic increase in the radii of the characteristic structured diffuse intensity distribution. Extended Hückel tight binding calculations of the FSs of the doped samples are carried out and used to predict possible nesting wave-vectors. The results are in reasonably good agreement with the radii of the experimentally observed diffuse intensity distributions. 相似文献
2.
Accelerated phase transformations and chemical reactions of metastable aluminas and kaolinite, doped with Cu2
+, Mn3
+/Mn2
+ and Fe3
+/Fe2
+ ions, are accompanied with accelerated decrease of surface area and pore volume values. The phenomena in metal ion doped
samples are explained by a catalytic mechanism, in terms of the Jahn-Teller effect.
This revised version was published online in June 2006 with corrections to the Cover Date. 相似文献
3.
4.
On the basis of critical comparison of experimental and theoretical values of the E parameter and investigation of the retardation effect of oxygen on the evaporation rate of ZnO, CdO and HgO, it was concluded that the dissociative evaporation of ZnO and HgO proceeds with releasing of atomic oxygen (O) as a primary product of decomposition. By contrast, the mechanism of dissociative evaporation of CdO corresponds to the equilibrium reaction with releasing of molecular oxygen (O2) as a primary product of decomposition. As was shown, this difference in mechanisms is not related with interatomic OO distances in these oxides. From the analysis of crystal structure for 12 different oxides, which evaporate with releasing of atomic oxygen, and for 13 compounds, which evaporate with releasing of molecular oxygen, it was revealed that the first mechanism is observed for all oxides with the cubic crystal structure. It was proposed that a decisive role in this difference belongs to a local symmetry in the position of O atoms. 相似文献
5.
R. Murugesan P. Sami T. Jeyabalan A. Shunmugasundaram 《Journal of Chemical Sciences》1995,107(1):1-10
Bonding and redox properties of mono- and dititanium substituted 12-heteropolytungsto-phosphates and their complexes with
bivalent Mn, Co, Ni and Cu are studied by UV-Vis, ESR and cyclicvoltammetric techniques. The heteropoly blue analogue [TiIIITiIVW10PO40]8− is unstable and its presence in solution is proved by optical and ESR spectroscopy. ESR results reveal that the odd electron
is trapped on the titanium atom at 77 K. The optical electronegativity of Ti(III) in this heteropoly blue is estimated to
be 2.4 from the intervalence charge transfer (IVCT) bands. X-ray powder diffraction results show that the complexes K5MII[Ti2W10PO40].xH2O(MII = Cu or Mn) are isomorphous with K7[Ti2W10PO40].6H2O. Electronic spectroscopy indicates very high symmetry around the bivalent metal ion M in the K5MII[Ti2W10PO40].xH2O complexes. This high symmetry is confirmed in K5Cu[Ti2W10PO40] by the observation of dynamic Jahn-Teller (JT) distortion at 300 K and static JT distortion at 77 K. 相似文献
6.
T. V. Ramakrishnan H. R. Krishnamurthy S. R. Hassan G. Venketeswara Pai 《Journal of Chemical Sciences》2003,115(5-6):767-774
Manganites of the LA1−x
Ca
x
MnO3 family show a variety of new and poorly understood electronic, magnetic and structural effects. Here we outline a new approach
recently proposed by us, where we argue that due to strong Jahn-Teller (JT) coupling with phonons the twofold degeneratee
g
states at the Mn sites dynamically reorganize themselves into localised, JT polaronsl with exponentially small inter-site hopping, and band-like, nonpolaronic statesb, leading to anew 2-band model for manganites which includes strong Coulomb and Hund’s couplings. We also discuss some results from a dynamical mean-field theory treatment
of the model which explains quantitatively a wide variety of experimental results, including insulator-metal transitions and
CMR, in terms of the influence of physical conditions on the relative energies and occupation of thel andb states. We argue that this microscopic coexistence of the two types of electronic states, and their relative occupation and
spatial correlation is the key to manganite physics.
Dedicated to Professor C N R Rao on his 70th birthday 相似文献
7.
引言在定量和定性研究有机化合物的结构与性质的关系中,最广泛使用的是Hammett等所提出的σ_m、σ_p等取代基常数以及基团的诱导(场)效应和共轭效应常数。在建立基团的共轭效应常数方面,人们做了大量的工作,但多数工作是基于对基团的Hammett常数σ的人为分解上,建立的模型和分解方式(系数因子)不同,则得到不同的结果。另一方面纯理论计算工作大多引入较多参数,使计算复杂和使用不便。作者曾在建立表征诱导效应大小的 相似文献
8.
二(邻香草醛缩丙醇胺)异硫氰酸根合锰(Ⅲ)的合成与晶体结构 总被引:2,自引:0,他引:2
本文报道了一个新配合物—二(邻香草醛缩丙醇胺根)异硫氰酸根合锰(Ⅲ)的合成及其晶体结构。配合物属于单斜晶系,空间群为P21/c,晶胞参数为:a=8.565(1), b=21.814(2), c=12.787(2)?, β=92.80(1)°。锰为六配位,在两个邻香草醛缩丙醇胺Schiff碱配体中,一个为三齿配体,另一个为双齿配体。NCS-离子以N在轴向上与锰发生配位,由于Jahn-Teller效应,其键长为2.193?。另外晶胞中存在着罕见的H……S-C≡N氢键。 相似文献
9.
10.
K. Grob 《Journal of separation science》1980,3(6):286-290
The sensitivity of an FID may change when the carrier gas flow rate changes during a chromatographic run. Sample parts which are eluted at reduced FID sensitivity produce a reduced peak area, hence are discriminated as compared to other components. Sensitivity changes were studied for hydrogen as carrier gas. For the detector tested, differences in the carrier gas flow rates of 1 ml/min shifted the FID sensitivity by 1 to 5% (depending on the fuel gas supply). Thus the stability of the sensitivity is no longer ensured as soon as the carrier gas flow rate is changed manually or by an automatic programmer during an analysis. Sensitivity drifts may also occur during temperature programmed runs with a pressure regulated carrier gas supply since the gas flow through the capillary drops with increasing temperature. Such shifts in the response became noticeable as soon as relatively high carrier gas flow rates combined with long range temperature programmes were used. The typical patterns of such discriminations are shown, closing with a discussion on the possibilities for minimizing such undesired effects. 相似文献