Crystal Structure, Ultraviolet Spectrum, and Electronic Structure of a Strongly Twisted Push-Pull Ethylene, approaching an Amidinium-Vinylogous Dithioate Zwitterion

The crystal structure of 1,3-di benzyl -2 - (4,4-dimet hyl- 2,5- bist hioxocyclo hexylidene) imidazolidine (2) shows a twist of 80.8(5)' about the inter-ring bond, which has a length of 1.482(6) A. The near orthogonality of the donor and acceptor parts of this formal push-pull ethylene makes the structure approach that of a zwitterion, as evidenced by bond lengths indicating strong electron delocalization. The acceptor part approaches a vinylogous dithioate structure, the donor part an amidinium system. The U.V. spectrum shows an n + R and a R + R transition, at 51 1 and 41 7.5 nm, respectively; according to CNDO/S calculations these are located entirely in the [S-C-C-C-SI- part. Two bands at shorter wavelength are ascribed to transitions from combinations of the lone-pair orbitals on the sulphur atoms to a n* orbital in the [N-C-N] + part; this is facilitated by the near perpendicularity of the two parts of the molecule.

Applicability of the van der Pauw-Hall measurement technique to implanted samples

The application of the van der Pauw-Hall measurement technique to implanted samples in which the mobility varies with depth has still not been fully justified. A proof that the technique is in fact applicable in this situation is given. Journal of Applied Physics is copyrighted by The American Institute of Physics.

Refractive index measurement by the moire technique

A simple moire method for the direct measurement of refractive indices is presented. The change of magnification and/or distortion of the image of a linear grating when viewed through a refractive index field is amplified by means of moire fringes and is measured directly. Relations between the index of refraction and fringe spacing are derived and have been verified experimentally.

Study of Structural Stability and Electronic Structure of Nonstoichiometric CdS Nano Clusters from First Principles

Structural stability of small sized nonstoichiometric CdS nano clusters between zincblende and wurtzite structures has been investigated using first-principles density functional calculations. Our study shows that the relative stability of these two structures depends sensitively on whether the surface is S-terminated or Cd-terminated. The associated band gap also exhibits non-monotonic behavior as a function of cluster size. Our findings may shed light on contradictory reports of experimentally observed structures of CdS nano clusters found in the literature.

Metal complexes of thiophene 2-thiocarboxamide. Proton and 13C NMR, IR and electronic spectral studies

The complexes of thiophene 2-thiocarboxamide (TTCA) with some metal chlorides and bromides [M = Ni(II), Zn(II), Cd(II), Hg(II) and Cu(I)] are described. Elemental analyses, magnetic susceptibilities and conductance studies, electronic, IR, proton and 13C magnetic resonance spectra are reported. The results suggest exclusive coordination of TTCA through the thiocarbonyl sulfur. The influence of the thiophene ring on the donor properties of the thioamide are discussed.

Measurement of aerodynamic forces for missile shaped body in hypersonic shock tunnel using 6-component accelerometer based balance system

This paper reports the basic design of a new six component force balance system using miniature piezoelectric accelerometers to measure all aerodynamic forces and moments for a test model in hypersonic shock tunnel (HST2). Since the flow duration in a hypersonic shock tunnel is of the order of $1$ ms, the balance system [1] uses fast response accelerometers (PCB Piezotronics; frequency range of 1-10 kHz) for obtaining the aerodynamic data. The alance system has been used to measure the basic aerodynamic forces and moments on a missile shaped body at Mach $8$ in the IISc hypersonic shock tunnel. The experimentally measured values match well with theoretical predictions.

Measurement of sensitivities for the thermal recording of laser beams

A simple technique for determining the energy sensitivities for the thermographic recording of laser beams is described. The principle behind this technique is that, if a laser beam with a known spatial distribution such as a Gaussian profile is used for imaging, the radius of the thermal image formed depends uniquely on the intensity of the impinging beam. Thus by measuring the radii of the images produced for different incident beam intensities the minimum intensity necessary (that is, the threshold) for thermographic imaging is found. The diameter of the laser beam can also be found from this measurement. A simple analysis based on the temperature distribution in the laser heated material shows that there is an inverse square root dependence on pulse duration or period of exposure for the energy fluence of the laser beam required, both for the threshold and the subsequent increase in the size of the recording. It has also been shown that except for low intensity, long duration exposure on very low conductivity materials, heat losses are not very significant.

Measurement of dielectric constant of conducting liquids

A ratio transformer method suitable for the measurement of the dielectric constant of highly conducting liquids is described. The resistance between the two plates of the capacitor can be as low as 2 k Omega . In this method variations in this low resistance will not give any error in capacitance measurement. One of the features of this method is the simplicity in balancing the resistance, using a LDR (light dependent resistor), without influencing the independent capacitance measurement. The ratio transformer enables the ground capacitances to be eliminated. The change in leakage inductance of the ratio transformer while changing the ratios is also taken into account. The capacitance of a dielectric cell of the order of 50 pF can be measured from 1000 Hz to 100 kHz with a resolution of 0.06 pF. The electrode polarisation problem is also discussed.

The Electronic Structure of Graphite from Compton Profile Measurements

Compton profile data are used to investigate the ground state wavefunction of graphite. The results of two new $\gamma$-ray measurements are reported and compared with the results of earlier $\gamma$-ray and electron scattering measurements. A tight-binding calculation has been carried out and the results of earlier calculations based on a molecular model and a pseudo-potential wavefunction are considered. The analysis, in terms of the reciprocal form factor, shows that none of the calculations gives an adequate description of the data in the basal plane although the pseudo-potential calculation describes the anisotropy in the plane reasonably well. In the basal plane the zero-crossing theorem appears to be violated and this problem must be resolved before more accurate models can be derived. In the c-axis direction the molecular model and the tight binding calculation give better agreement with the experimental data than does the pseudopotential calculation.

A study of interaction between two He+ ions in terms of the electronic forces

The potential energy curve of the He2+2 system dissociating into two He+ ions is examined in terms of the electronic force exerted on each nucleus as a function of the internuclear separation. The results are compared with the process of bond-formation in H2 from the separated atoms.

Time-Domain Measurement of Voltage Induction by Transient EM Fields

An efficient measurement technique for studying the effect of transient electromagnetic fields under controlled conditions has been described. Broad-band TEM fields with a rise-time of a few nanoseconds were generated using a stripline method. Theoretical results are obtained and experimental measurements which confirm these results are described. The work will form the basis for a study of the susceptibility of digital integrated circuits and their interconnections to transient electromagnetic fields.

Measurement of the acoustical impedance of a black box at low frequencies using a shorter impedance tube

For the experimental evaluation of the acoustical impedance of a termination by the impedance-tube method at low frequencies, the length of the impedance tube is a problem. In the present paper, the method of exact analysis of standing waves developed by the authors for the stationary medium as well as for mean flow, has been extended for measurement of the acoustical impedance of a termination at low frequencies. The values of the tube attenuation factor and the wave number at the low frequency of interest are established from the experiment conducted, with the given impedance tube, at a higher frequency. Then, exciting the tube at the desired low frequency it is sufficient to measure sound pressure at three differenct locations (not necessarily the minima) in order to evaluate reflection coefficient and hence the impedance of the termination at that frequency.

Long-range Coulomb interactions and nanoscale electronic inhomogeneities in correlated oxides

Electronic, magnetic, or structural inhomogeneities ranging in size from nanoscopic to mesoscopic scales seem endemic and are possibly generic to colossal magnetoresistance manganites and other transition metal oxides. They are hence of great current interest and understanding them is of fundamental importance. We show here that an extension, to include long-range Coulomb interactions, of a quantum two-fluid l-b model proposed recently for manganites [Phys. Rev. Lett. 92, 157203 (2004)] leads to an excellent description of such inhomogeneities. In the l-b model two very different kinds of electronic states, one localized and polaronic (l) and the other extended or broad band (b) coexist. For model parameters appropriate to manganites and even within a simple dynamical mean-field theory (DMFT) framework, it describes many of the unusual phenomena seen in manganites, including colossal magnetoresistance (CMR), qualitatively and quantitatively. However, in the absence of long-ranged Coulomb interaction, a system described by such a model would actually phase separate, into macroscopic regions of l and b electrons, respectively. As we show in this paper, in the presence of Coulomb interactions, the macroscopic phase separation gets suppressed and instead nanometer scale regions of polarons interspersed with band electron puddles appear, constituting a kind of quantum Coulomb glass. We characterize the size scales and distribution of the inhomogeneity using computer simulations. For realistic values of the long-range Coulomb interaction parameter V-0, our results for the thresholds for occupancy of the b states are in agreement with, and hence support, the earlier approach mentioned above based on a configuration averaged DMFT treatment which neglects V-0; but the present work has features that cannot be addressed in the DMFT framework. Our work points to an interplay of strong correlations, long-range Coulomb interaction, and dopant ion disorder, all inevitably present in transition metal oxides as the origin of nanoscale inhomogeneities rather than disorder frustrated phase competition as is generally believed. As regards manganites, it argues against explanations for CMR based on disorder frustrated phase separation and for an intrinsic origin of CMR. Based on this, we argue that the observed micrometer (meso) scale inhomogeneities owe their existence to extrinsic causes, e.g., strain due to cracks and defects. We suggest possible experiments to validate our speculation.

A Simple Method of Obtaining the Band Strengths in the Electronic Spectra of Diatomic Molecules

Relative band strengths of diatomic molecules for which the product of Franck-Condon factor and r-centroid is approximately equal to 1 for (0,0) band can be determined by a simple method which will be in good agreement with the smoothed array of experimental values.

The electronic factor in Bergman cyclization

Through-bond interactions in 1,4-dehydrobenzene preferentially stabilize the out-of-phase combination of the radical hydrids, The resultant splitting between the frontier orbitals is crucial in making Bergman cyclization a symmetry-allowed process. Orbital symmetry also inhibits the radical centers from forming a C-C bond, enabling the biradical to survive as a local minimum capable of intermolecular hydrogen abstraction, Both these factors, which are important in the design of DNA cleaving molecules, are confirmed through calculations on biradicals formed from diynes in which through-bond interactions stabilize the in-phase combination of hybrids at the radical centers.