Ocean acoustic noise can be processed efficiently to extract Green's function information between two receivers. By using noise array-processing techniques, it has been demonstrated that a passive array can be used as a fathometer [Siderius, et al., J. Acoust. Soc. Am. 120, 1315-1323 (2006)]. Here, this approach is derived in both frequency and time domains and the output corresponds to the reflection sequence. From this reflection sequence, it is possible to extract seabed layering. In the ocean waveguide, most of the energy is horizontally propagating, whereas the bottom information is contained in the vertically propagating noise. Extracting the seabed information requires a dense array, since the resolution of the bottom layer is about half the array spacing. If velocity sensors are used instead of pressure sensors, the array spacing requirement can be relaxed and simulations show that just one vertical velocity sensor is sufficient.

The effect of ocean sound speed uncertainty on matched-field geoacoustic inversion is investigated using data from the SW06 experiment along a nearly range-independent bathymetric track. Significant sound speed differences were observed at the source and receiving array and several environmental parameterizations were investigated for the inversion including representing the ocean sound speed at both source and receivers with empirical orthogonal function (EOF) coefficients. A genetic algorithm-based global optimization method was applied to the candidate environmental models. Then, a Bayesian inversion technique was used to quantify uncertainty in the environmental parameters for the best environmental model, which included an EOF description of the ocean sound speed.

We have developed an analytical approach for computing Franck-Condon integrals (FCIs) of harmonic oscillators (HOs) with arbitrary dimensions in which the mode-mixing Duschinsky effect is taken into account. A general formula of FCIs of HOs was obtained and was applied to study the photoelectron spectroscopy of vinyl alcohol and ovalene (C(32)H(14)). The equilibrium geometries, harmonic vibrational frequencies and normal modes of vinyl alcohol, ovalene, and their cations were computed at the B3LYP/aug-cc-pVTZ or the B3LYP/6-31G(d) level, from which Franck-Condon factors were calculated and photoelectron spectra were simulated. The adiabatic ionization energies of vinyl alcohol were also computed by extrapolating the CCSD(T) energies to the complete basis set limit with aug-cc-pVXZ (X = D, T, Q, 5). The simulated photoelectron spectra of both vinyl alcohol and ovalene are in agreement with the experiments. The computed adiabatic ionization energies of syn- and anti-vinyl alcohol are in consistent with the experiment within 0.008 eV and 0.014 eV, respectively. We show, for the first time, that the analytical approach of computing FCIs is also efficient and promising for the studies of vibronic spectra of macrosystems.

Ionic gold(I) complexes with general formula of [Au(Py)2][AuCl2] and [Au(Py)2][PF6] (Py = 4-substituted pyridines) have been synthesized. Structures of five Au(I) complexes and a Ag(I) complex were determined by single crystal X-ray diffraction. Evidence for cationic aggregation of [Au(py)2][PF6] complexes in solution was obtained by conductivity measurements and by the isosbestic point observed from variable temperature UV-visible absorption spectra. All compounds were luminous in the solid state. Calculations employing density functional theory were performed to shed light on the nature of the electronic transitions. While the [Au(4-dmapy)2][AuCl2] (4-dmapy = 4-dimethylaminopyridine) and [Au(4-pic)2][AuCl2] (4-pic = 4-picoline) emissions were found to be mainly ligand in nature, their [PF6](-) counterparts involved a Au...Au-interaction imbedded in the highest occupied molecular orbital. [Au(4-dmapy)2][AuCl2] was found to be an efficient catalyst for Suzuki cross-coupling of aryl bromide and phenylboronic acid.

No abstract