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排序方式: 共有308条查询结果,搜索用时 19 毫秒
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[reaction: see text]. Experimental support is provided for the charge localization in squaraines, a class of fundamentally and technologically important organic dyes, by (1)H NMR analysis through a host-guest complexation approach. Specific binding of Ca(2+) ions to the squaraine 2 with a podand sidearm resulted in a charge-localized structure 2a with dramatic shifts and resolution of the proton signals when compared to those of 2. 相似文献
4.
Stoltz C Ramesha K Sirchio SA Gönen ZS Eichhorn BW Salamanca-Riba L Gopalakrishnan J 《Journal of the American Chemical Society》2003,125(14):4285-4292
Anion metathesis reactions between ZrNCl and A(2)S (A = Na, K, Rb) in the solid state follow three different pathways depending on reaction temperature and reactant stoichiometry: (1) the reaction of ZrNCl with A(2)S in the 2:1 stoichiometry at 800 degrees C/72 h/in vacuo yields alpha-Zr(2)N(2)S with the expected layered structure of La(2)O(2)S. Above 850 degrees C, alpha-Zr(2)N(2)S (P3 macro m1; a = 3.605(1) A, c = 6.421(3) A) neatly transforms to beta-Zr(2)N(2)S (P6(3)/mmc: a = 3.602(1) A, c = 12.817(1) A). The structures of the alpha- and beta-forms are related by an a/2 shift of successive Zr(2)N(2) layers. (2) The same reaction at low temperatures (300-400 degrees C) yields ACl intercalated phases of the formula A(x)Zr(2)N(2)SCl(x) (0 < x < approximately 0.15), where alkali ions are inserted between the S/Cl.S/Cl van der Waals gap of a ZrNCl-type structure. The S and Cl ions are disordered and the c lattice parameters are alkali dependent (R3 macro m, a approximately 3.6 A, c approximately 28.4 (Na), 28.9 (K), and 30.5 A (Rb). A(x)Zr(2)N(2)SCl(x) phases are hygroscopic and reversibly absorb water to give monohydrates. (3) Reaction of ZrNCl with excess A(2)S at 400-1000 degrees C gives A(2)S intercalated phases of the formula A(2)(x)Zr(2)N(2)S(1+)(x) (0 < x < 0.5), where the alkali ions reside between the S.S van der Waals gap of a ZrNCl type structure (R3 macro m, a approximately 3.64 A, c approximately 29.48 A). Structural characterization of the new phases and implications of the results are described. 相似文献
5.
Jin J Sioutis I Tarczay G Gopalakrishnan S Bezant A Miller TA 《The Journal of chemical physics》2004,121(23):11780-11797
Dispersed fluorescence (DF) spectra of 1-propoxy, 1-butoxy, 2-propoxy, and 2-butoxy radicals have been observed under supersonic jet cooling conditions by pumping different vibronic bands of the B-X laser induced fluorescence excitation spectrum. The DF spectra were recorded for both conformers of 1-propoxy, three conformers of the possible five of 1-butoxy, the one possible conformer of 2-propoxy, and two conformers of the possible three of 2-butoxy. Analysis of the spectra yields the energy separations of the vibrationless levels of the ground X and low-lying A electronic state as well as their vibrational frequencies. In all cases, the vibrational structure of the DF spectra is dominated by a CO stretch progression yielding the nuCO stretching frequency for the X state and in most cases for the A state. In addition to the experimental work, quantum chemical calculations were carried out to aid the assignment of the vibrational levels of the X state and for some conformers the A state as well. Geometry optimizations of the different conformers of the isomers were performed and their energy differences in the ground states were determined. The results of the calculation of the energy separations of the close-lying X and A states of the different conformations are provided for comparison with the experimental observations. 相似文献
6.
A series of hexacoordinated RuIII–PPh3 complexes of general formula [RuCl(PPh3)L] (L = tetradentate Schiff bases derived from the condensation of 2-furaldehyde or thiophene-2-carboxyaldehyde with alkyl and aryl diamines have been synthesized. The complexes were characterized by elemental analyses, spectroscopic and cyclic voltammetric studies. All of the complexes were paramagnetic. Coordination of the Schiff base appears to occur through the two nitrogen and two heterocyclic oxygen/sulphur atoms. 相似文献
7.
Mixed valency in the high-temperature phases of transition metal molybdates, A MoO4 ( A =Fe, Co, Ni)
Transition metal molybdates of the formulaAMoO4 whereA=Fe, Co or Ni exhibit a first-order phase transition between 670K–970K. An investigation of the lowtemperature (lt) and high-temperature (ht) phases by x-ray photoelectron spectroscopy, x-ray absorption spectroscopy, magnetic susceptibility and other physical methods
shows that the phase transition is associated with a valence change of the typeA
2++Mo6+αA
3++Mo5+ in the cases of iron and cobalt molybdates.
Contribution No. 311 from the Solid State and Structural Chemistry Unit. 相似文献
8.
G. Gopalakrishnan Nair 《Journal of Optimization Theory and Applications》1979,28(3):429-434
The convergence of the Luus-Jaakola search method for unconstrained optimization problems is established.Notation
E
n
Euclideann-space
- f
Gradient off(x)
- 2
f
Hessian matrix
- (·)
T
Transpose of (·)
-
I
Index set {1, 2, ...,n}
- [x
i1
*(j)
]
Point around which search is made in the (j + 1)th iteration, i.e., [x
1l
*(j)
,x
2l
*(j)
,...,x
n1
*(j)
]
-
r
i
(i)
Range ofx
il
*(i)
in the (j + 1)th iteration
-
l
1
mini {r
i
(0)
}
-
l
2
mini {r
i
(0)
}
-
A
j
Region of search in thejth iteration, i.e., {x E
n:x
il
*(j-1)
–0.5r
i
(j-1)
x
ix
il
*(j-1)
+0.5r
i
(j-1)
,i I}
-
S
j
Closed sphere with center origin and radius
j
-
Reduction factor in each iteration
-
1–
- (·)
Gamma function
Many discussions with Dr. S. N. Iyer, Professor of Electrical Engineering, College of Engineering, Trivandrum, India, are gratefully acknowledged. The author has great pleasure to thank Dr. K. Surendran, Professor, Department of Electrical Engineering, P.S.G. College of Technology, Coimbatore, India, for suggesting this work. 相似文献
9.
10.
B.P.C. Rao† S. Ramaswamy† C. Gopalakrishnan N. Satya Vijayakumar K.R. Ganesh 《哲学杂志》2013,93(25):3463-3473
Two-dimensional carbon nanosheets have been fabricated using inductively coupled radio frequency plasma-enhanced chemical vapour deposition. The structural properties of the nanosheets have been characterised using atomic force microscopy, scanning electron microscopy and X-ray diffractometer. The magnetisation of the samples was studied using vibrating sample magnetometer. The magnetisation of the nanosheets was found to be diamagnetic for fast synthesis processes (30 and 60 min). On the other hand, the nanosheets exhibited a weak ferromagnetic response for the slow (120 min) synthesis process. Energy dispersive spectrometry and atomic absorption spectroscopy confirmed that the magnetisation exhibited by the carbon nanosheets was an intrinsic property and that it was not due to contamination from the substrate. Raman spectroscopy studies revealed that the ferromagnetic carbon nanosheets have a higher ratio (1.20) of graphite peak (I G) to disordered peak (I D) than normally expected (0.75–0.90). Available data indicated that the magnetisation was due to the presence of structural disorders. 相似文献