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At least 271 records · Page 15

Photoabsorption and photoionization cross sections of NH3, PH3, H2S, C2H2, and C2H4 in the VUV region

Using synchrotron radiation as a continuum light source, the photoabsorption and photoionization cross sections of NH3, PH3, H2S, C2H2, and C2H4 have been measured from their respective ionization thresholds to 1060 A. The vibrational constants associated with the nu(2) totally symmetric, out-of-plane bending vibration of the ground electronic state of PH3(+) have been obtained. The cross sections and quantum yields for producing neutral products through photoexcitation of these molecules in the given spectral regions have also been determined. In the present work, autoionization processes were found to be less important than dissociation and predissociation processes in NH3, PH3, and C2H4. Several experimental techniques have been employed in order to examine the various possible systematic errors critically.

Xia, T. J.↗

Two-dimensional model calculation of fluorine-containing reservoir species in the stratosphere

Two-dimensional model calculations have been carried out of the distributions of the fluorine-containing reservoir species HF, CF2O, and CFClO. HF constitutes the largest fluorine reservoir in the stratosphere, but CF2O also makes an important contribution to the inorganic fluorine budget. CFClO amounts are most important in the tropical lower stratosphere. HF amounts increase with altitude throughout the stratosphere, while those of CF2O and CFClO fall off above their mixing ratio peaks due to photolysis. The model is in good qualitative agreement with observed vertical profiles of HF and CF2O but tends to underestimate the total column of HF. The calculated CFClO distribution is in good agreement with the very limited data. The disagreement in the HF columns is likely due to small inaccuracies in the model's treatment of lower stratospheric photolysis of chlorofluorocarbons. The model results support the suggestion that CF2O may be heterogeneously converted to HF on the surface of polar stratospheric cloud particles. The model results also suggest that the quantum yield for photolysis of CF2O is near unity.

Kaye, Jack A.↗

Photodissociation of the hydroxyl radical (OH) at 157 nm

The photodissociation of the OH radical was studied at 157 nm via the detection of the product H atoms with the resonance fluorescence technique. OH radicals were produced in a fast-flow cell from the reaction between H and NO2 and subsequently photodissociated by an excimer laser operating on the F2 emission. The quantum yield for photodissociation of OH was measured to be 1.10 + or - 0.28. The photodissociation cross section was calculated to be 6.6 x 10 to the -18th sq cm (+ or - 25 percent).

Cody, R. J.↗

Formation and decay of (3P(J))O atoms in the laser flash photolysis of chlorine dioxide (OClO) at 308 nm

The quantum yields of O(3P(J)) and Cl(2P(3/2)) atoms released in the laser flash photolysis of OClO at 308 and 298 K were determined and the kinetics of the subsequent oxygen atom decay was investigated using time-resolved atomic resonance fluorescence measurements. The results are consistent with the formation of sym-ClO3 having a Delta Hf(ClO3) (formed in the reaction O + OClO + Ar) of 55.6 +/-4 kcal/mol.

Colussi, A. J.↗

The photolysis of NH3 in the presence of substituted acetylenes - A possible source of oligomers and HCN on Jupiter

An NMR spectral study is presently conducted of NH3 photolysis in the presence of substituted acetylenes with NMR spectra and gas chromatography. Quantum yields and percentage conversions to products are reported. It is shown that acetylenic hydrocarbons generated during methane photolysis in Jupiter's stratosphere can react with radicals formed by NH3 photolysis to yield nonvolatile, yellow-brown polymers, alkylnitriles, and in due course, HCN, as observed on Jupiter.

Ferris, James P.↗

Properties of haze in the atmosphere of Triton

Voyager UV spectrometer measurements of CH4 and haze of the Triton atmosphere combined with the haze brightness profile determined by the narrow angle camera are used to infer a haze optical thickness of 0.024 at 1500 A and 0.0078 in the spectral range of the narrow angle camera centered at 4700A, rho/gamma = 0.36 +/- 0.1 g/cu cm (gamma is the quantum yield of condensate), and values of r(c) varying from 0.1 +/- 0.02 micron at 30 km to 0.15 +/- 0.03 micron near the surface. Other auxiliary properties of the haze are also determined. The value found for rho/gamma corresponds to a packing coefficient of 0.6 gamma if C2H4 is the main condensible species.

Krasnopolsky, V. A.↗

The low-energy, charge-transfer excited states of 4-amino-4-prime-nitrodiphenyl sulfide

Absorption and emission spectra of 4-amino-4-prime-nitrodiphenyl sulfide in polar and nonpolar solvents were used to characterize and assign the low-energy excited states of the molecule. Fluorescence-excitation anisotropy spectra and fluorescence quantum yields were also used to characterize the photophysics of these states. The lowest-energy fluorescent singlet state was determined to be an intramolecular charge transfer (ICT) state involving transfer of a full electron charge from the amino to the nitro group yielding a dipole moment of about 50 D. A low-energy, intense absorption band is assigned as a transition to a different ICT state involving a partial electron charge transfer from sulfur to the nitro group.

O'Connor, Donald B.↗

Heterogeneous photocatalytic oxidation of atmospheric trace contaminants

Research was conducted on: (1) design and construction of a continuous flow photoreactor to study oxidation of trace atmospheric contaminants; (2) kinetics of acetone oxidation including adsorption equilibrium, variation of oxidatiin rate with acetone concentration and water, and variation of rate and apparent quantum yield with light intensity, and (3) kinetics of butanol oxidation, including rate variations; and (4) kinetics of catalyst deactivation including deactivation rate, influence of dark conditions, and photocatalytic regeneration in alcohol-free air.

Ollis, David F.↗

Southern hemisphere ground based measurements of Carbonyl Fluoride (COF2) and Hydrogen Fluoride (HF): Partitioning between Fluoride reservoir species

We report infrared ground based total column measurements of the stratospheric fluorine reservoir gases COF2 and HF above Lauder, New Zealand (45 deg S, 167.8 deg E) obtained between April 1993 and January 1994. The average retrieved COF2 and HF total columns are 2.81(+/- 0.56) x 10(exp 14) and 9.91(+/- 1.09) x 10(exp 14) molecules/sq cm respectively. The daily average COF2 and HF columns are correlated; this correlation is likely the result of dynamics. The average HF/COF2 column ratio on days with measurements of both HF and COF2 is 3.63 (+/- 0.55). Comparison of this ratio with model calculations implies that the quantum yield for COF2 photolysis is near unity. Our measured COF2 columns are higher than all previously reported values, but inconsistencies among the earlier measurements and uncertainty in the latitudinal gradient of the COF2 column preclude an accurate determination of the long-term COF2 trend.

Reisinger, Andreas R.↗

Theoretical investigation of wave-vector-dependent analytical and numerical formulations of the interband impact-ionization transition rate for electrons in bulk silicon and GaAs

The electron interband impact-ionization rate for both silicon and gallium arsenide is calculated using an ensemble Monte Carlo simulation with the expressed purpose of comparing different formulations of the interband ionization transition rate. Specifically, three different treatments of the transition rate are examined: the traditional Keldysh formula, a new k-dependent analytical formulation first derived by W. Quade, E. Scholl, and M. Rudan (1993), and a more exact, numerical method of Y. Wang and K. F. Brennan (1994). Although the completely numerical formulation contains no adjustable parameters and as such provides a very reliable result, it is highly computationally intensive. Alternatively, the Keldysh formular, although inherently simple and computationally efficient, fails to include the k dependence as well as the details of the energy band structure. The k-dependent analytical formulation of Quade and co-workers overcomes the limitations of both of these models but at the expense of some new parameterization. It is found that the k-dependent analytical method of Quade and co-workers produces very similar results to those obtained with the completely numerical model for some quantities. Specifically, both models predict that the effective threshold for impact ionization in GaAs and silicon is quite soft, that the majority of ionization events originate from the second conduction band in both materials, and that the transition rate is k dependent. Therefore, it is concluded that the k-dependent analytical model can qualitatively reproduce results similar to those obtained with the numerical model yet with far greater computational efficiency. Nevertheless, there exist some important drawbacks to the k-dependent analytical model of Quade and co-workers: These are that it does not accurately reproduce the quantum yield data for bulk silicon, it requires determination of a new parameter, related physically to the overlap intergrals of the Bloch state which can only be adjusted by comparison to experiment, and fails to account for any wave-vector dependence of the overlap integrals. As such the transition rate may be overestimated at those points for which 'near vertical,' small change in k, transitions occur.

Kolnik, Jan↗

In situ phytoplankton absorption, fluorescence emission, and particulate backscattering spectra determined from reflectance

An inverse model was developed to extract the absortion and scattering (elastic and inelastic) properties of oceanic constituents from surface spectral reflectance measurements. In particular, phytoplankton spectral absorption coefficients, solar-stimulated chlorophyll a fluorescence spectra, and particle backscattering spectra were modeled. The model was tested on 35 reflectance spectra obtained from irradiance measurements in optically diverse ocean waters (0.07 to 25.35 mg/cu m range in surface chlorophyll a concentrations). The universality of the model was demonstrated by the accurate estimation of the spectral phytoplankton absorption coefficents over a range of 3 orders of magnitude (rho = 0.94 at 500 nm). Under most oceanic conditions (chlorophyll a less than 3 mg/cu m) the percent difference between measured and modeled phytoplankton absorption coefficents was less than 35%. Spectral variations in measured phytoplankton absorption spectra were well predicted by the inverse model. Modeled volume fluorescence was weakly correlated with measured chl a; fluorescence quantum yield varied from 0.008 to 0.09 as a function of environment and incident irradiance. Modeled particle backscattering coefficients were linearly related to total particle cross section over a twentyfold range in backscattering coefficents (rho = 0.996, n = 12).

Roesler, Collin S.↗

Superradiance of J-Aggregated 2,2'-Cyanine Absorbed onto a Vesicle Surface

Phospholipid vesicles are used as substrates to form adsorbed aggregates of 2,2'-cyanine, also referred to as pseudoisocyanine (PIC). In this paper, we report photophysical parameters of two putative adsorbed aggregates species (cis- and trans-aggregates, relating to their makeup from mono-cis and all-transstereoisomers, respectively). Phase modulation picosecond fluorescence decay measurements reveal that superradiance and energy transfer are dominant features controlling photophysical processes. Superradiance, coherence size, energy transfer and exciton-phonon coupling are discussed for the two types of aggregates; as regards photophysical parameters, the fluorescence lifetimes, fluorescence quantum yields, and nonradiative rate constants are determined. It is suggested that structure plays the crucial role in excited state dynamics.

Akins, Daniel L.↗

The Onset of the 1997-1998 El Nino and its Impact on the Phytoplankton Community of the Central Equatorial Pacific

Using physical and bio-optical data from moorings in the central equatorial Pacific, the perturbations to phytoplankton biomass and productivity associated with the onset of the 1997-98 El Nino event were investigated. The data presented depict the physical progression of El Nino onset, from reversal of the trade winds in the western equatorial Pacific, through eastward propagation of equatorially trapped Kelvin waves and advection of waters from the nutrient-poor western equatorial warm pool. The physical perturbations led to fluctuations in phytoplankton biomass, quantum yield of fluorescence and a 50% reduction in primary productivity.

Chavez, F. P.↗

[MODIS Investigation]

Our first activity is based on delivery of code to Bob Evans (University of Miami) for integration and eventual delivery to the MODIS Science Data Support Team. As we noted in our previous semi-annual report, coding required the development and analysis of an end-to-end model of fluorescence line height (FLH) errors and sensitivity. This model is described in a paper in press in Remote Sensing of the Environment. Once the code was delivered to Miami, we continue to use this error analysis to evaluate proposed changes in MODIS sensor specifications and performance. Simply evaluating such changes on a band by band basis may obscure the true impacts of changes in sensor performance that are manifested in the complete algorithm. This is especially true with FLH that is sensitive to band placement and width. The error model will be used by Howard Gordon (Miami) to evaluate the effects of absorbing aerosols on the FLH algorithm performance. Presently, FLH relies only on simple corrections for atmospheric effects (viewing geometry, Rayleigh scattering) without correcting for aerosols. Our analysis suggests that aerosols should have a small impact relative to changes in the quantum yield of fluorescence in phytoplankton. However, the effect of absorbing aerosol is a new process and will be evaluated by Gordon.

Abbott, Mark R.↗

[MODIS Investigation]

The objectives of the last six months were: Continue analysis of Hawaii Ocean Time-series (HOT) bio-optical mooring data, Recover instrumentation from JGOFS cruises in the Southern Ocean and analyze data Maintain documentation of MOCEAN algorithms and software for use by MOCEAN and GLI teams Continue chemostat experiments on the relationship of fluorescence quantum yield to environmental factors. Continue to develop and expand browser-based information system for in situ bio-optical data Work Analysis of Field Data from Hawaii We are continuing to analyze bio-optical data collected at the Hawaii Ocean Time Series mooring. The HOT bio-optical mooring was recovered in May 1998. After retrieving the data, the sensor package was serviced and redeployed. We now have over 18 months of data. These are being analyzed as part of a larger study of mesoscale processes at this JGOFS time series site. We have had some failures in the data logger which have affected the fluorescence channels. These are being repaired. We also had an instrument housing failure, and minor modifications have been made to avoid subsequent problems. In addition, Ricardo Letelier is funded as part of the SeaWiFS calibrator/validation effort (through a subcontract from the University of Hawaii, Dr. John Porter), and he is collecting bio-optical and fluorescence data as part of the HOT activity.

Abbott, Mark R.↗

Mechanism for the Green Glow of the Upper Ionosphere

The generation of the green line of atomic oxygen by dissociative recombination of 02 plus occurs by the capture of an electron into a repulsive state of 02 followed by dissociation along another state of a different electronic symmetry. The two states are coupled together by mixed symmetry Rydberg states. Quantum chemical calculations give a rate coefficient at room temperature of (0.39 (+ 0.31 or -0.19)) x 10 exp -8 cubic centimeters per second. The quantum yield of excited oxygen is within the range deduced from ground, rocket, and satellite observations. The rate coefficients and yields are needed in models of the optical emission, chemistry, and energy balance of planetary ionospheres.

Guberman, Steven L.↗

Theoretical Investigation of Wave-Vector-Dependent Analytical and Numerical Formulations of the Interband Impact-Ionization Transition Rate for Electron in Bulk Silicon and GaAs

The electron interband impact-ionization rate for both silicon and gallium arsenide is calculated using an ensemble Monte Carlo simulation with the expressed purpose of comparing different formulations of the interband ionization transition rate. Specifically, three different treatments of the transition rate are examined: the traditional Keldysh formula, a new k-dependent analytical formulation first derived by W. Quade, E Scholl, and M. Rudan, and a more exact, numerical method of Y. Wang and K. F. Brennan. Although the completely numerical formulation contains no adjustable parameters and as such provides a very reliable result, it is highly computationally intensive. Alternatively, the Keldysh formula, although inherently simple and computationally efficient, fails to include the k dependence as well as the details of the energy band structure. The k-dependent analytical formulation of Quade and co-workers overcomes the limitations of both of these models but at the expense of some new parameterization. It is found that the k-dependent analytical method of Quade and co-workers produces very similar results to those obtained with (he completely numerical model for some quantities. Specifically, both models predict that the effective threshold for impact ionization in GaAs and silicon is quite soft, that the majority of ionization events originate from the second conduction band in both materials, and that the transition rate is k dependent. Therefore, it is concluded that the k-dependent analytical model can qualitatively reproduce results similar to those obtained with the numerical model yet with far greater computational efficiency. Nevertheless, there exist some important drawbacks to the k-dependent analytical model of Quade and co-workers: These are that it does not accurately reproduce the quantum yield data for bulk silicon, it requires determination of a new parameter, related physically to (he overlap integrals of the Bloch state which can only be adjusted by comparison to experiment, and fails to account for any wave-vector dependence of the overlap integrals. As such [he transition rate may be overestimated at those points for which "near vertical," small change in k, transitions occur.

Kolnik, Jan↗

Preparation and Characterization of Fluorescent Derivatives of Chicken Egg White Lysozyme

Fluorescence is one of the most versatile and powerful tools for the study of macromolecules. While most proteins are intrinsically fluorescent, working at crystallization concentrations require the use of covalently prepared derivatives added as tracers. This approach requires derivatives that do not markedly affect the crystal packing. We have prepared a number of fluorescent derivatives of chicken egg white lysozyme with probes bound to one of two different sites on the protein molecule. Lucifer yellow, cascade blue, and 5-(2-aminoethyl)aminonapthalene-l-sulfonic acid (EDANS) have been attached to the side chain carboxyl of asp101 using a carbodiimide coupling procedure. asp101 lies within the active site cleft, and it is believed that the probes are at least partially "buried" within that cleft. Lucifer yellow and MANS probes with iodoacetamide reactive groups have been bound to hisl5, located on the "back side" of the molecule relative to the active site. The fluorescently labeled protein is readily purified from the starting material by cation exchange chromatography. All the derivatives fluoresce in both the solution and the crystalline states. Fluorescence characterization has focused on determining the bound probe quantum yields, lifetimes, absorption and emission spectra, and quenching by added solutes in comparison to the free probe. No appreciable changes are found in the lifetimes of any of the probes except for cascade blue, where Tau(sub free) = 3.52 ns vrs Tau(sub bound) = 2.8 ns. Spectral shifts are found in most cases. Particularly strong quenching upon binding is found in the case of the cascade blue derivative, likely due to probe interactions with the active site cleft. While none of the asp101 bound probes are well quenched by commonly employed solutes, such as potassium and sodium iodide, acrylamide, primuline, the chloride salts of manganese, cesium, and cobalt, trifluoroacetamide, trichloroethanol, and thallium iodide, in those cases where quenching is observed the bound probe is less efficiently quenched relative to the free probe. This indicates that the bound probes are less accessible to the bulk solution, an expected finding for attachment within the active site cleft. Attempts have been made to bind other molecules to these sites, with varying success. Interestingly, all three probes contain one or more sulfonate ((Ar-S03)-) groups. We have not been successful in binding analogous probes without sulfate groups such as pyrene, or with derivatized sulfonate groups such as dansyl type probes, analogous to MANS but where the sulfonate group is derivatized, Ar-S02-N2C2H7. None of the probes is rigidly bound to the protein, i.e., they all have a probe motion superimposed on that of the protein.

Sumida, John↗