Vibrational Spectra and Normal Coordinate Analysis of N-Methyl Thiourea

The infrared spectra of N-methylthiourea (NMTU) and its N-deuterated and S-methylated species were measured. Assignment of the infrared and Raman spectra of NMTU has been accomplished by correlation with thiourea and by use of infrared band shifts on N-deuteration as well as S-methylation. Normal coordinate analysis was performed for all the fundamentals of NMTU and NMTU-d3, the assignments obtained from the force field calculations being discussed in relation to those in other related thioureas and thioamides. The potential barriers to the internal rotations for the �NH2, �CH3, and �CN groups were estimated from the force constants.

Vibrational Spectra and Assignments for the Fundamental Vibrations of Imidazolidine-2-thione and -2-selenone

Infrared spectra of imidazolidine-2-thione (N,N?-ethylenethiourea, ETU) and its N,N?-deuterated (ETU-d2) and S-methylthiouronium iodides have been recorded from 4000 to 30 cm?1. Normal coordinate analyses of ETU and ETU-d2 have been made for all the fundamental frequencies, employing a Urey-Bradley potential function supplemented with valence type constants for the out of plane modes of the planar skeleton. Raman frequencies of ETU from literature have been utilised. The results of the vibrational analyses are discussed in relation to the group frequencies in structurally related molecules and frequency shifts on deuteration and S-methylation. The normal coordinate treatment is also performed for the planar vibrations of imidazolidine-2-selenone (N,N?-ethyleneselenourea, ESU) to propose assignments for ESU and so also to support the assignments of ETU.

Vibrational analysis of 1,3-thiazolidine-2-thione and its selenium analogue

The i.r. spectra of 1,3-thiazolidine-2-thione, ?2-selone and their N-deuteriated derivatives have been investigated in the region between 4000 and 20 cm?1. A complete assignment of the fundamental vibrational frequencies has been made based upon the normal coordinate analysis carried out using a simple Urey�Bradley force field supplemented by the valence force constants for the out-of-plane vibrations of the planar molecular skeleton. The proposed assignments are discussed in relation to the group frequencies in structurally related molecules and in terms of the computed potential energy distributions among the symmetry coordinates.

Vacuum ultraviolet circular dichroism spectrum of β-turn in solution

The vacuum ultraviolet circular dichroism spectrum of an isolated 4 → 1 hydrogen bonded β-turn is reported. The observed spectrum of N-acetyl-Pro-Gly-Leu-OH at − 40°C in trifluoroethanol is in good agreement with the theoretically calculated CD spectrum of the β-turn conformation. This spectrum, particularly the presence of a strong negative band around 180 nm and a large ratio [θ]201/[θ]225, can be taken as a characteristic feature of the isolated β-turn conformation. These CD spectral features can thus be used to distinguish the β-turn conformation from the β-structure in solution.

Generation of spectrum compatible accelerograms

In this paper a new method is presented for generating earthquake accelerograms which have pre-established response spectra. The non-stationary random nature and other salient features of the accelerograms can be taken care of by the procedure developed. The method leads to a sample spectrum which lies above the given spectrum. The generation of records to suit several spectra simultaneously can also be handled by this approach. The method is detailed first. This is followed by several numerical examples.

Analysis of the Ce 3d-4d4d Auger spectrum with the use of synchrotron radiation

We report 3d-4d4d Auger spectra of Ce metal with the use of synchrotron radiation to excite the initial core hole. By sweeping the excitation energy through the 3d-->4f threshold, it has been possible to excite different initial states selectively, enabling us to analyze the complex spectrum in terms of different contributions arising from various deca channels.

Analysis of the Gd 4d-XY Auger spectrum using synchrotron radiation

We report the 4d-XY (X, Y = 5p, 4f, and the conduction band) Auger spectra of clean Gd using a monochromatic photon source with energies above and below the 3d threshold. The spectra with higher hv show the existence of intense spectator-hole Auger transitions. Comparison of these spectra with those obtained with a primary electron source allows detailed interpretation of the various features and explains the unusual spin polarization of the electron-induced spectrum reported earlier.

Application of a modified z-cosy experiment for the analysis of spectra of oriented molecules - the spectrum of cis,cis-mucanonitrile

NMR spectra of cis,cis-mucanonitrile oriented in a liquid crystal have been analysed using the connectivity information obtained from a modified Z-COSY experiment which provided crucial clues for the starting parameters for the iterative analysis. The proton spectra with and without C-13 satellites and the C-13 spectra have thus been interpreted. The indirect spin-spin couplings required for the analyses have been obtained from the corresponding isotropic spectra. The H-1-H-1 and C-13-H-1 dipolar couplings so obtained have been utilized to determine the relative internuclear distances. The results indicate that the molecule is planar. (C) 1994 Academic Press, Inc.

Cooperative Spectrum Sensing Algorithms For OFDM Systems with Frequency Selective Channels

This paper considers the problem of spectrum sensing in cognitive radio networks when the primary user employs Orthogonal Frequency Division Multiplexing (OFDM). We specifically consider the scenario when the channel between the primary and a secondary user is frequency selective. We develop cooperative sequential detection algorithms based on energy detectors. We modify the detectors to mitigate the effects of some common model uncertainties such as timing and frequency offset, IQ-imbalance and uncertainty in noise and transmit power. The performance of the proposed algorithms are studied via simulations. We show that the performance of the energy detector is not affected by the frequency selective channel. We also provide a theoretical analysis for some of our algorithms.

Bayesian Decentralized Spectrum Sensing in Cognitive Radio Networks

This paper considers the problem of spectrum sensing, i.e., the detection of whether or not a primary user is transmitting data by a cognitive radio. The Bayesian framework is adopted, with the performance measure being the probability of detection error. A decentralized setup, where N sensors use M observations each to arrive at individual decisions that are combined at a fusion center to form the overall decision is considered. The unknown fading channel between the primary sensor and the cognitive radios makes the individual decision rule computationally complex, hence, a generalized likelihood ratio test (GLRT)-based approach is adopted. Analysis of the probabilities of false alarm and miss detection of the proposed method reveals that the error exponent with respect to M is zero. Also, the fusion of N individual decisions offers a diversity advantage, similar to diversity reception in communication systems, and a tight bound on the error exponent is presented. Through an analysis in the low power regime, the number of observations needed as a function of received power, to achieve a given probability of error is determined. Monte-Carlo simulations confirm the accuracy of the analysis.

Dynamic structure of charge carrier in polyaniline by near-infrared excited resonance Raman spectroscopy

New vibrational Raman features characteristic to the conductive form of polyaniline have been observed with the near-infrared excitation at 1047 nm. Based on an analogy with the resonance Raman spectrum of Michler's ketone in the lowest excited triplet (T-1) state, we consider these features as due to a dynamic structure of a diimino-1,4-phenylene unit in the polyaniline chain exchanging a positive charge very rapidly. This consideration directly leads to a conducting mechanism in which a positive charge migrates from one nitrogen to the other through the conjugated chain of polyaniline.