Molecular structure,vibrational spectroscopic and chemical reactivity of nematogenic p-n-alkylbenzoic acids: A comparative computational analysis

Molecular structure and vibrational spectroscopic studies of higher homologous series nematogenic p-n-alkylbenzoic acids (nBAC) that have 6 (6BAC) and 7 (7BAC) carbon atoms in the alkyl chain have been investigated using the Density Functional Becke3-Lee-Yang-Parr (B3LYP) level with the basis set 6-31++G (d.p) and Hartree Fock (HF) with the same basis set. The observed vibrational spectra has been resolved and assigned in detail for comparision with both the molecules. These results indicate that DFT and HF values are slightly different at both the levels. A comparision of chemical reactivity such as HOMO (E_H), LUMO (E_L) energies, energy gap (E_g), ionization energy (I), electron affinity (A), electro negativity (χ), chemical hardness (η), electronic chemical potential (μ), electrophilicity index (ω), and softness (S) has been made. It has been observed that the decrement has occurred in the energy band gap value of isolated molecule with increment in alkyl chain length. This provides valuable information regarding enhancing the stability of liquid crystal materials by maintaining the conductivity.     

Noise-induced chaotic-attractor escape route

Nonlinear Dynamics - In the present article, a combination of numerical and experimental studies is undertaken to comprehend the influence of noise on the responses of continuous-time dynamical...     

Generating functions for a class ofq-polynomials

Summary Some simple ideas are used here to prove a theorem on generating functions for a certain class of q-polynomials. This general theorem is then applied to derive a fairly large number of known as well as new generating functions for the familiar q-analogues of various polynomial systems including, for example, the classical orthogonal polynomials of Hermite, Jacobi, and Laguerre. A number of other interesting consequences of the theorem are also discussed.     

Design and fabrication of fluid controlled dynamic optical lens system

A novel small fluid controlled optical lens system that is capable of displaying dynamic variation of its focal length and field-of-view (FOV) is designed and fabricated. In this active lens system, appropriate volume of the optical fluid can be pumped into or out of the lens chamber to provide double-convex (DCX) or double-concave (DCV) lens effect. Simple optical imaging experiments were performed using different sets of glass lenses with fixed focal lengths to determine the optimum lens configuration required for designing a dynamic optical lens system. The experimental results obtained from the glass lenses demonstrate that a combination of a single DCX lens with three DCV lenses provides a wider FOV. The flexible membranes for fluid controlled lenses were fabricated using polydimethylsiloxane polymer material, which has good optical transparency and elasticity. A simple fluid injection system is used to vary the radius of curvature of the lenses, and thereby to change the focal length. A dynamic optical lens system with a combination of one DCX and multiple variable focal length DCV lenses as designed here can image an object with a wide range of focal length and FOV. With this fluid controlled optical system, the FOV and focal length could be continuously varied and a maximum FOV of 118.3° could be achieved. The smallest f-number (f_/#) for this fluid controlled single lens system was found to be 1.3, which corresponds to the numerical aperture value of 0.35.     

Temperature studies of Fe−Mn nodules

Sea nodules were extensively studied over a wide range of temperature ranging from 77K to 1175K using Mossbauer effect and ESR. The Mossbauer studies of the nodules at 77K and room temperature show a quadrupole doublet whereas at higher temperatures magnetic spectra were obtained starting at around 875K which ultimately gives a hyperfine field of around 390 KOe at 1175 K. The Mossbauer spectra recorded at 30K did not show any significant change in the room temperature spectra. The analysis of the spectra upto 775K showed two positions of Fe^R+, vie., octahedral and tetrahedral which were varified by ESR of the diluted samples.