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Full-Text Articles in Physics
Studying The Interface Between Croconic Acid Thin Films And Substrates Using A Slow Positron Beam, Dean Peterson, Jiandang Liu, Jonas Etzweiler, Gabriel Sontoyo, Sara J. Callori, Kimberley R. Cousins, Timothy Usher, Renwu Zhang
Studying The Interface Between Croconic Acid Thin Films And Substrates Using A Slow Positron Beam, Dean Peterson, Jiandang Liu, Jonas Etzweiler, Gabriel Sontoyo, Sara J. Callori, Kimberley R. Cousins, Timothy Usher, Renwu Zhang
Physics Faculty Publications
Croconic acid (CA) is the first organic ferroelectric with a spontaneous polarity in bulk samples comparable to its inorganic counterparts. As a natural extension of study, ultrathin CA films (∼nm scale) were investigated to reveal ferroelectric effects in films on different substrates for their fundamental and industrial significance. However, the void defect at the interface between the film and substrate is presumed to interfere with surface effects. In this work, a non-invasive technique, a slow positron beam, coupled with Doppler broadening energy spectroscopy (DBES), is applied to study the void defects within the interfacial layer between CA films and Si …
Estimating And Correcting Interference Fringes In Infrared Spectra In Infrared Hyperspectral Imaging, Ghazal Azarfar, Ebrahim Aboualizadeh, Nicholas Walter,, Simona Ratti, Camilla Olivieri, Alessandra Alessandra, Michael Nasse, Achim Kohler, Mario Giordano, Carol Hirschmugl
Estimating And Correcting Interference Fringes In Infrared Spectra In Infrared Hyperspectral Imaging, Ghazal Azarfar, Ebrahim Aboualizadeh, Nicholas Walter,, Simona Ratti, Camilla Olivieri, Alessandra Alessandra, Michael Nasse, Achim Kohler, Mario Giordano, Carol Hirschmugl
Physics Faculty Articles
Short-term acclimation response of individual cells of Thalassiosira weissflogii was monitored by Synchrotron FTIR imaging over the span of 75 minutes. The cells, collected from batch cultures, were maintained in a constant flow of medium, at an irradiance of 120 μmol m−2 s−1 and at 20 °C. Multiple internal reflections due to the micro fluidic channel were modeled, and showed that fringes are additive sinusoids to the pure absorption of the other components of the system. Preprocessing of the hyperspectral cube (x, y, Abs(λ)) included removing spectral fringe using an EMSC approach. Principal component analysis of the time series of …
Spectroscopy And Formation Of Lanthanum-Hydrocarbon Radicals Formed By Association And Carbon-Carbon Bond Cleavage Of Isoprene, Wenjin Cao, Dilkrushi Hewage, Dong-Sheng Yang
Spectroscopy And Formation Of Lanthanum-Hydrocarbon Radicals Formed By Association And Carbon-Carbon Bond Cleavage Of Isoprene, Wenjin Cao, Dilkrushi Hewage, Dong-Sheng Yang
Chemistry Faculty Publications
La atom reaction with isoprene is carried out in a laser-vaporization molecular beam source. The reaction yields an adduct as the major product and C—C cleaved and dehydrogenated species as the minor ones. La(C5H8), La(C2H2), and La(C3H4) are characterized with mass-analyzed threshold ionization (MATI) spectroscopy and quantum chemical computations. The MATI spectra of all three species exhibit a strong origin band and several weak vibronic bands corresponding to La-ligand stretch and ligand-based bend excitations. La(C5H8) is a five-membered metallacycle, whereas La(C2H2 …
Lanthanum-Mediated Dehydrogenation Of Butenes: Spectroscopy And Formation Of La(C4H6) Isomers, Wenjin Cao, Dilkrushi Hewage, Dong-Sheng Yang
Lanthanum-Mediated Dehydrogenation Of Butenes: Spectroscopy And Formation Of La(C4H6) Isomers, Wenjin Cao, Dilkrushi Hewage, Dong-Sheng Yang
Chemistry Faculty Publications
La atom reactions with 1-butene, 2-butene, and isobutene are carried out in a laser-vaporization molecular beam source. The three reactions yield the same La-hydrocarbon products from the dehydrogenation and carbon-carbon bond cleavage and coupling of the butenes. The dehydrogenated species La(C4H6) is the major product, which is characterized with mass-analyzed threshold ionization (MATI) spectroscopy and quantum chemical computations. The MATI spectrum of La(C4H6) produced from the La+1-butene reaction exhibits two band systems, whereas the MATI spectra produced from the La+2-butene and isobutene reactions display only a single band system. Each of these …
Detection And Characterization Of The Tin Dihydride (Snh2 And Snd2) Molecule In The Gas Phase, Tony C. Smith, Dennis J. Clouthier
Detection And Characterization Of The Tin Dihydride (Snh2 And Snd2) Molecule In The Gas Phase, Tony C. Smith, Dennis J. Clouthier
Chemistry Faculty Publications
The SnH2 and SnD2 molecules have been detected for the first time in the gas phase by laser-induced fluorescence (LIF) and emission spectroscopic techniques through the Ã1B1–X̃1A1 electronic transition. These reactive species were prepared in a pulsed electric discharge jet using (CH3)4Sn or SnH4/SnD4 precursors diluted in high pressure argon. Transitions to the electronic excited state of the jet-cooled molecules were probed with LIF, and the ground state energy levels were measured from single rovibronic level emission spectra. The LIF spectrum of SnD2 …
Spectroscopic Study Of The Dimerisation Process Of Iron Protoporphyrin Ix, K. Dziedzic-Kocurek, Hugh Byrne, A. Swiderski, J. Stanek
Spectroscopic Study Of The Dimerisation Process Of Iron Protoporphyrin Ix, K. Dziedzic-Kocurek, Hugh Byrne, A. Swiderski, J. Stanek
Articles
The commercial protoporphyrin IX, iron-ferriprotoporphyrin IX-chloride and synthesized iron porphyrin μ-oxo-dimers were examined by UV/vis absorption and fluorescence, Fourier transformed infrared spectroscopy, resonance Raman, X-ray absorption, Mössbauer spectroscopy and SQUID. The evidence of Fe-O-Fe antiferromagnetic coupling concluded from SQUID and Mössbauer in the case of samples containing dimerized forms confirmed the presence of the oxo-bridges. In this paper the results of UV/vis, fluorescence, Fourier transform infrared FTIR and Raman spectroscopies are reported and discussed. The study is based on the comparison of the free-base protoporphyrin IX, Fe-PPIX-Cl and the synthesized dimerized specimen. The vibrational modes in two energy regions i.e. …
A Six-Dimensional H2–H2 Potential Energy Surface For Bound State Spectroscopy, Robert Hinde
A Six-Dimensional H2–H2 Potential Energy Surface For Bound State Spectroscopy, Robert Hinde
Chemistry Publications and Other Works
We present a six-dimensional potential energy surface for the (H2)2 dimer based on coupled-cluster electronic structure calculations employing large atom-centered Gaussian basis sets and a small set of midbond functions at the dimer’s center of mass. The surface is intended to describe accurately the bound and quasibound states of the dimers (H2)2, (D2)2, and H2–D2 that correlate with H2 or D2 monomers in the rovibrational levels (v, j) =(0,0), (0,2), (1,0), and (1,2). We employ a close-coupled approach to compute the …
Infrared-Active Vibron Bands Associated With Substitutional Impurities In Solid Parahydrogen, Robert Hinde
Infrared-Active Vibron Bands Associated With Substitutional Impurities In Solid Parahydrogen, Robert Hinde
Chemistry Publications and Other Works
We present a model for the line shapes of infrared-active Q1(0) vibron bands observed in solid parahydrogen doped with low concentrations of spherical substitutional impurities. The line shapes are highly sensitive to the H2 vibrational dependence of the dopant–H2 interaction. When this vibrational dependence is strong, the dopant can trap the infrared-active vibron in its first solvation shell; in this case, the trapped vibron manifests itself in the absorption spectrum as a narrow feature to the red of the pure solid’s vibron band.