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NASA NTRS1988

Second and third order nonlinear optical properties of conjugated molecules and polymers

Second- and third-order nonlinear optical properties of some newly synthesized organic molecules and polymers are reported. Powder second-harmonic-generation efficiencies of up to 200 times urea have been realized for asymmetric donor-acceptor acetylenes. Third harmonic generation chi(3)s have been determined for a series of small conjugated molecules in solution. THG chi(3)s have also been determined for a series of soluble conjugated copolymers prepared using ring-opening metathesis polymerization. The results are discussed in terms of relevant molecular and/or macroscopic structural features of these conjugated organic materials.

Perry, Joseph W.↗

NASA NTRS1992

Prediction of nonlinear optical properties of large organic molecules

The preparation of materials with large nonlinear responses usually requires involved synthetic processes. Thus, it is very advantageous for materials scientists to have a means of predicting nonlinear optical properties. The prediction of nonlinear optical properties has to be addressed first at the molecular level and then as bulk material. For relatively large molecules, two types of calculations may be used, which are the sum-over-states and the finite-field approach. The finite-field method was selected for this research, because this approach is better suited for larger molecules.

Cardelino, Beatriz H.↗

NASA NTRS1991

Molecules with enhanced electronic polarizabilities based on defect-like states in conjugated polymers

Highly conjugated organic polymers typically have large non-resonant electronic susceptibilities, which give the molecules unusual optical properties. To enhance these properties, defects are introduced into the polymer chain. Examples include light doping of the conjugated polymer and synthesis, conjugated polymers which incorporate either electron donating or accepting groups, and conjugated polymers which contain a photoexcitable species capable of reversibly transferring its electron to an acceptor. Such defects in the chain permit enhancement of the second hyperpolarizability by at least an order of magnitude.

Beratan, David N.↗

NASA NTRS2013

Does the Coherent Lidar System Corroborate Non-Interaction of Waves (NIW)?

The NIW (non-interaction of waves) property has been proposed by one of the coauthors. The NIW property states that in the absence of any "obstructing" detectors, all the Huygens-Fresnel secondary wavelets will continue to propagate unhindered and without interacting (interfering) with each other. Since a coherent lidar system incorporates complex behaviors of optical components with different polarizations including circular polarization for the transmitted radiation, then the question arises whether the NIW principle accommodate elliptical polarization of light. Elliptical polarization presumes the summation of orthogonally polarized electric field vectors which contradicts the NIW principle. In this paper, we present working of a coherent lidar system using Jones matrix formulation. The Jones matrix elements represent the anisotropic dipolar properties of molecules of optical components. Accordingly, when we use the Jones matrix methodology to analyze the coherent lidar system, we find that the system behavior is congruent with the NIW property.

Prasad, Narasimha S.↗

NASA NTRS1996

Using naturally occurring polysaccharides to align molecules with nonlinear optical activity

The Biophysics and Advanced Materials Branch of the Microgravity Science and Applications Division at Marshall Space Flight Center has been investigating polymers with the potential for nonlinear optical (NLO) applications for a number of years. Some of the potential applications for NLO materials include optical communications, computing, and switching. To this point the branch's research has involved polydiacetylenes, phthalocyanins, and other synthetic polymers which have inherent NLO properties. The aim of the present research is to investigate the possibility of using naturally occurring polymers such as polysaccharides or proteins to trap and align small organic molecules with useful NLO properties. Ordering molecules with NLO properties enhances 3rd order nonlinear effects and is required for 2nd order nonlinear effects. Potential advantages of such a system are the flexibility to use different small molecules with varying chemical and optical properties, the stability and cost of the polymers, and the ability to form thin, optically transparent films. Since the quality of any polymer films depends on optimizing ordering and minimizing defects, this work is particularly well suited for microgravity experiments. Polysaccharide and protein polymers form microscopic crystallites which must align to form ordered arrays. The ordered association of crystallites is disrupted by gravity effects and NASA research on protein crystal growth has demonstrated that low gravity conditions can improve crystal quality.

Prasthofer, Thomas↗

NASA NTRS1991

Polycyclic aromatic hydrocarbon optical properties and contribution to the acceleration of stellar outflows

The optical constants of four polycyclic aromatic hydrocarbon (PAH) molecules (benzene, pyrene, pentacene, and coronene) are determined from their measured laboratory absorption spectra. The Planck mean of the radiation pressure cross section is computed for each molecule and for amorphous carbon (AC) grains, and semiempirically estimated for large PAH molecules up to 400 carbon atoms. Assuming that PAHs are present in carbon-rich stellar outflows, the radiation pressure forces acting on them are calculated and compared with the radiation forces on AC particles. The results show that PAHs possess very different optical properties from AC grains. Small PAHs may experience an 'inverse greenhouse' effect in the inner part of the envelope, as they decouple from the gas close to the photosphere. The radiation pressure force on PAHs is always much less than the force at work on AC grains, and PAH molecules do not affect significantly the dynamics of the outflow.

Cherchneff, Isabelle↗

NASA NTRS1993

Optimization of microscopic and macroscopic second order optical nonlinearities

Nonlinear optical materials (NLO) can be used to extend the useful frequency range of lasers. Frequency generation is important for laser-based remote sensing and optical data storage. Another NLO effect, the electro-optic effect, can be used to modulate the amplitude, phase, or polarization state of an optical beam. Applications of this effect in telecommunications and in integrated optics include the impression of information on an optical carrier signal or routing of optical signals between fiber optic channels. In order to utilize these effects most effectively, it is necessary to synthesize materials which respond to applied fields very efficiently. In this talk, it will be shown how the development of a fundamental understanding of the science of nonlinear optics can lead to a rational approach to organic molecules and materials with optimized properties. In some cases, figures of merit for newly developed materials are more than an order of magnitude higher than those of currently employed materials. Some of these materials are being examined for phased-array radar and other electro-optic switching applications.

Marder, Seth R.↗

NASA NTRS1989

The correlated-k method for radiation calculations in nonhomogeneous atmospheres

The accuracy of the correlated-k method, which is a technique for radiation calculations with spectrally averaged data in nonhomogeneous atmospheres, is investigated. Comparisons are made for scattering and absorbing atmospheres containing CO2, H2O, and O3, and it is concluded that: (1) the errors in correlated-k are generally of order of magnitude 1 percent, (2) much larger errors occur only when a radiative quantity is very much smaller than its average value, (3) errors do not depend systematically on the gas molecule, the distributions of gases and aerosols, or on the aerosol optical properties, and (4) errors do not systematically increase with the order of differencing. It is shown that the multiplication property for transmission by overlapping bands can be incorporated into correlated-k, that temperature effects can be interpolated on a coarse grid, and that 10 quadrature points are often sufficient to average over complex spectral intervals containing thousands of lines.

Goody, Richard↗

NASA NTRS2016

Utilization of O4 Slant Column Density to Derive Aerosol Layer Height from a Space-Borne UV-Visible Hyperspectral Sensor: Sensitivity and Case Study

The sensitivities of oxygen-dimer (O4) slant column densities (SCDs) to changes in aerosol layer height are investigated using the simulated radiances by a radiative transfer model, the linearized pseudo-spherical vector discrete ordinate radiative transfer (VLIDORT), and the differential optical absorption spectroscopy (DOAS) technique. The sensitivities of the O4 index (O4I), which is defined as dividing O4 SCD by 10(sup 40) molecules (sup 2) per centimeters(sup -5), to aerosol types and optical properties are also evaluated and compared. Among the O4 absorption bands at 340, 360, 380, and 477 nanometers, the O4 absorption band at 477 nanometers is found to be the most suitable to retrieve the aerosol effective height. However, the O4I at 477 nanometers is significantly influenced not only by the aerosol layer effective height but also by aerosol vertical profiles, optical properties including single scattering albedo (SSA), aerosol optical depth (AOD), particle size, and surface albedo. Overall, the error of the retrieved aerosol effective height is estimated to be 1276, 846, and 739 meters for dust, non-absorbing, and absorbing aerosol, respectively, assuming knowledge on the aerosol vertical distribution shape. Using radiance data from the Ozone Monitoring Instrument (OMI), a new algorithm is developed to derive the aerosol effective height over East Asia after the determination of the aerosol type and AOD from the MODerate resolution Imaging Spectroradiometer (MODIS). About 80 percent of retrieved aerosol effective heights are within the error range of 1 kilometer compared to those obtained from the Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) measurements on thick aerosol layer cases.

Air Pollution↗

NASA NTRS2001

Controlling Growth Orientation of Phthalocyanine Films by Electrical Fields

Organic Phthalocyanine films have many applications ranging from data storage to various non-linear optical devices whose quality is affected by the growth orientation of Phthalocyanine films. Due to the structural and electrical properties of Phthalocyanine molecules, the film growth orientation depends strongly on the substrate surface states. In this presentation, an electrical field up to 4000 V/cm is introduced during film growth. The Phthalocyanine films are synthesized on quartz substrates using thermal evaporation. An intermediate layer is deposited on some substrates for introducing the electrical field. Scanning electron microscopy, x-ray diffraction, and Fourier transform infrared spectroscopy are used for measuring surface morphology, film structure, and optical properties, respectively. The comparison of Phthalocyanine films grown with and without the electrical field reveals different morphology, film density, and growth orientation, which eventually change optical properties of these films. These results suggest that the growth method in the electrical field can be used to synthesized Phthalocyanine films with a preferred crystal orientation as well as propose an interaction mechanism between the substrate surface and the depositing molecules. The details of growth conditions and of the growth model of how the Phthalocyanine molecules grow in the electrical field will be discussed.

Zhu, S.↗

NASA NTRS1993

Prediction of nonlinear optical properties of organic materials. General theoretical considerations

The prediction of nonlinear optical properties of organic materials is geared to assist materials scientists in the selection of good candidate molecules. A brief summary of the quantum mechanical methods used for estimating hyperpolarizabilities will be presented. The advantages and limitations of each technique will be discussed. Particular attention will be given to the finite-field method for calculating first and second order hyperpolarizabilities, since this method is better suited for large molecules. Corrections for dynamic fields and bulk effects will be discussed in detail, focusing on solvent effects, conformational isomerization, core effects, dispersion, and hydrogen bonding. Several results will be compared with data obtained from third-harmonic-generation (THG) and dc-induced second harmonic generation (EFISH) measurements. These comparisons will demonstrate the qualitative ability of the method to predict the relative strengths of hyperpolarizabilities of a class of compounds. The future application of molecular mechanics, as well as other techniques, in the study of bulk properties and solid state defects will be addressed. The relationship between large values for nonlinear optical properties and large conjugation lengths is well known, and is particularly important for third-order processes. For this reason, the materials with the largest observed nonresonant third-order properties are conjugated polymers. An example of this type of polymer is polydiacetylene. One of the problems in dealing with polydiacetylene is that substituents which may enhance its nonlinear properties may ultimately prevent it from polymerizing. A model which attempts to predict the likelihood of solid-state polymerization is considered, along with the implications of the assumptions that are used. Calculations of the third-order optical properties and their relationship to first-order properties and energy gaps will be discussed. The relationship between monomeric and polymeric third-order optical properties will also be considered.

Cardelino, B.↗

NASA NTRS1992

Enhancing The Hyperpolarizabilities Of Finite Polyenes

Improved strategy for exploiting unusual optical properties to enhance molecular hyperpolarizabilities by introducing "defect" quantum-mechanical states and produce molecules switched photochemically or electrochemically between states characterized by different second molecular hyperpolarizabilities. Strategy, conjugation and/or substitution defects, electrically neutral or charged dopant orimpurity atoms or groups thereof, incorporated into finite polyene. Defects in finite polyenes alter second molecular hyperpolarizabilities. Transient large second hyperpolarizabilities attainable in molecules of structure II.

Beratan, David N.↗

NASA NTRSDate not supplied

Low-Temperature Production of Cosmic Grains Analogs From Gas-Phase Molecular Precursors with the NASA Ames' COSmIC Facility

Complex carbon molecules and ions are ubiquitous in space and form the building blocks of carbonaceous cosmic dust grains, ultimately contributing to the formation of planets. Here, we report the first experimental investigations of the low temperature chemical pathways leading to the production of cosmic grain analogs from gas phase molecular precursors in order to better understand the evolution of cosmic carbon. The experiments were performed using the COsmic SImulation Chamber (COSmIC) to generate and characterize grains formed from gas phase precursors under controlled conditions representative of astrophysical environments [1]. Using COSmIC, it is possible to investigate the evolution of cosmic carbon from the formation of neutral and ionized gas phase hydrocarbons and PAHs [2], to carbon grains [3, 4]. This is achieved by using a discharge nozzle to (1) produce an adiabatic jet expansion and cool down Ar-hydrocarbon/PAH gas mixtures to astrophysically relevant temperature (150 K) before inducing chemistry by generating a plasma discharge in the stream of the expansion. This plasma-induced chemistry results in the formation of complex molecules and solid particles, analogs of cosmic grains. Solid grains are produced in-situ in the plasma expansion, carried by the accelerated gas in the expansion, and collected on substrates placed a few centimeters downstream of the electrodes. The results of a preliminary solid phase ex-situ analysis of cosmic grain analogs produced at low temperature in COSmIC from gas mixtures including molecular precursors of cosmic carbon grains, i.e., such as CH4 and C2H2 found in circumstellar ejecta of late C stars [3] as well as PAHs ubiquitously detected in IR emission bands seen in galactic and extragalactic environments [4] will be discussed. Scanning Electron Microscopy imaging was used to provide insight on the morphology and growth structure of the grains produced in COSmIC, and to investigate how the precursors used to produce the grains affect these parameters [3]. Laser desorption mass spectrometry was used to identify the molecules making up the main structures within the condensed grains [4]. NIR to FIR optical properties are characterized to provide critical information (functional groups, optical constants) to the scientific community, for use in radiative transfer models in particular, and to help decipher and enhance the return data from space observations.

F. Salama↗

NASA NTRS1990

Raman scattering and in-water ocean optical properties

Inelastic (transpectral) scattering may contribute significantly to the in-water light field. Major mechanisms for inelastic scattering include Raman scattering, which is important in clear ocean waters, and fluorescence from a variety of sources, which may be important in more turbid waters. The Raman cross section for liquid water is found to be 8.2 x 10 to the -30th sq cm/sr molecule, which is in agreement with the lower range of published values. Inelastic scattering has important ramifications for several aspects of marine biooptics, including the determination of in-water spectral absorption, the estimation of clear-water ocean optical properties, and possibly various aspects of algal photobiology.

Marshall, Bruce R.↗

NASA NTRS2009

Integrated Miniature Arrays of Optical Biomolecule Detectors

Integrated miniature planar arrays of optical sensors for detecting specific biochemicals in extremely small quantities have been proposed. An array of this type would have an area of about 1 cm2. Each element of the array would include an optical microresonator that would have a high value of the resonance quality factor (Q . 107). The surface of each microresonator would be derivatized to make it bind molecules of a species of interest, and such binding would introduce a measurable change in the optical properties of the microresonator. Because each microresonator could be derivatized for detection of a specific biochemical different from those of the other microresonators, it would be possible to detect multiple specific biochemicals by simultaneous or sequential interrogation of all the elements in the array. Moreover, the derivatization would make it unnecessary to prepare samples by chemical tagging. Such interrogation would be effected by means of a grid of row and column polymer-based optical waveguides that would be integral parts of a chip on which the array would be fabricated. The row and column polymer-based optical waveguides would intersect at the elements of the array (see figure). At each intersection, the row and column waveguides would be optically coupled to one of the microresonators. The polymer-based waveguides would be connected via optical fibers to external light sources and photodetectors. One set of waveguides and fibers (e.g., the row waveguides and fibers) would couple light from the sources to the resonators; the other set of waveguides and fibers (e.g., the column waveguides and fibers) would couple light from the microresonators to the photodetectors. Each microresonator could be addressed individually by row and column for measurement of its optical transmission. Optionally, the chip could be fabricated so that each microresonator would lie inside a microwell, into which a microscopic liquid sample could be dispensed.

Iltchenko, Vladimir↗

NASA NTRS1987

Oscillator strengths for visible and ultraviolet observations of interstellar molecules

Optical observations of molecules in diffuse interstellar clouds are discussed. The role of oscillator strengths in determining cloud properties such as densities, temperatures, and particle and photon fluxes is examined. The use of an emission technique, molecular and atomic lifetime measurements, and absorption measurements to estimate oscillator strengths is described. It is noted that the lifetime and absorption measurements are more advantageous than the emission technique to estimate oscillator strengths.

Smith, Peter L.↗

NASA NTRS1992

Raman Lidar Measurements of Pinatubo Aerosols over Southeastern Kansas During November-december 1991

The eruptions of the Philippine volcano Pinatubo during June 1991 produced large amounts of stratospheric aerosols that could significantly affect earth's climate as well as trigger stratospheric ozone depletion through heterogeneous chemical reactions. Information regarding the physical and optical properties of these aerosols is required to quantify those effects. By measuring both the elastically backscattered signal and the inelastic signal produced by Raman scattering from nitrogen molecules, Raman lidar can provide some of this information. In this presentation we discuss Raman lidar measurements of the scattering ratio, backscattering, extinction, extinction/backscattering ratio, and optical thickness of the Pinatubo aerosols over southeastern Kansas made on 10 nights during November and December, 1991. The Raman lidar developed at GSFC is a trailer-based system which uses an XeF excimer laser to transmit light at 351 nm. The light backscattered by molecules and aerosols at this wavelength is detected as well as Raman scattered light from water vapor, nitrogen, and oxygen molecules. Since background skylights interfere with the detection of the Raman signals the data discussed in this paper were acquired only at night.

Ferrare, R. A.↗

NASA NTRS1983

Picosecond measurements using photoacoustic detection

A report is presented of experimental results on picosecond time-resolved photoacoustic measurements of excited-state lifetimes, cross sections, and polarization properties for organic dye molecules in solution, using a new technique in which the total photoacoustic impulse produced by two ultrashort optical pulses with variable time delay between them is detected. The picosecond photoacoustic detection technique reported here appears to be a promising new way to observe weak excited-state cross sections and to perform picosecond lifetime measurements in a large variety of weakly absorbing and/or nonfluorescing atomic and molecular systems.

Heritier, J.-M.↗