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Vibrational Transitions (vibrational + transition)
Selected AbstractsRetrieval of spectral and dynamic properties from two-dimensional infrared pump-probe experimentsJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 9 2008Riccardo Chelli Abstract We have developed a fitting algorithm able to extract spectral and dynamic properties of a three level oscillator from a two-dimensional infrared spectrum (2D-IR) detected in time resolved nonlinear experiments. Such properties go from the frequencies of the ground-to-first and first-to-second vibrational transitions (and hence anharmonicity) to the frequency-fluctuation correlation function. This last is represented through a general expression that allows one to approach the various strategies of modeling proposed in the literature. The model is based on the Kubo picture of stochastic fluctuations of the transition frequency as a result of perturbations by a fluctuating surrounding. To account for the line-shape broadening due to pump pulse spectral width in double-resonance measurements, we supply the fitting algorithm with the option to perform the convolution of the spectral signal with a Lorentzian function in the pump-frequency dimension. The algorithm is tested here on 2D-IR pump-probe spectra of a Gly-Ala dipeptide recorded at various pump-probe delay times. Speedup benchmarks have been performed on a small Beowulf cluster. The program is written in FORTRAN language for both serial and parallel architectures and is available free of charge to the interested reader. © 2008 Wiley Periodicals, Inc. J Comput Chem, 2008 [source] Further 2MASS mapping of hot dust in planetary nebulaeMONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, Issue 4 2006J. P. Phillips ABSTRACT We have used 2 Micron All Sky Survey (2MASS) mapping results to investigate the distribution of hot dust continua in 12 planetary nebulae (PNe). The nature of this emission is unclear, but it is possible that where the continuum is extended, as is the case for M 1-12 and NGC 40, then the grains concerned may be very small indeed. The absorption of individual photons by such grains may lead to sharp spikes in temperature, as has previously discussed for several other such outflows. Other sources (such as MaC 1-4, He 2-25, B1 2-1 and K 3-15) appear to be relatively compact, and the high temperatures observed are understandable in terms of more normal heating processes. It is possible that the grains in these cases are experiencing high radiant flux levels. Finally, it is noted that whilst the core of M 2-2 appears to show hot grain emission, this is less the case for its more extended envelope. The situation may, in this case, be similar to that of NGC 2346, in which much of the emission is located within an unresolved nucleus. Similarly, it is noted that in addition to hot dust and gas thermal continua, the emission in the interior of NGC 40 may be enhanced through rotational,vibrational transitions of H2, and/or the 2p3P0,2s3S transition of He i. [source] Triple-Resonance Coherent Anti-Stokes Raman Scattering MicrospectroscopyCHEMPHYSCHEM, Issue 2 2009Wei Min Dr. Abstract Fluorescence-free microscopy: A new nonlinear optical microspectroscopy technique, femtosecond (fs) triple-resonance coherent anti-Stokes Raman scattering, in which the amplitude and phase of input fs laser pulses are optimally shaped to be in triple resonance with the molecular electronic and vibrational transitions, generates a coherent nonlinear signal beam at a new color with a highest possible efficiency (see figure). [source] A novel spectroscopic probe for molecular chiralityCHIRALITY, Issue 3 2006Na Ji Abstract Recent advances in developing sum frequency generation (SFG) as a novel spectroscopic probe for molecular chirality are reviewed. The basic principle underlying the technique is briefly described, in comparison with circular dichroism (CD). The significantly better sensitivity of the technique than CD is pointed out, and the reason is discussed. Bi-naphthol (BN) and amino acids are used as representatives for two different types of chiral molecules; the measured chirality in their electronic transitions can be understood by two different molecular models, respectively, that are extensions of models developed earlier for CD. Optically active or chiral SFG from vibrational transitions are weaker, but with the help of electronic-vibrational double resonance, the vibrational spectrum of a monolayer of BN has been obtained. Generally, optically active SFG is sufficiently sensitive to be employed to probe in-situ chirality of chiral monolayers and thin films. © 2006 Wiley-Liss, Inc. Chirality [source] | ||||||||||