Chemistry Commons^™

Synthesis And X-Ray Powder Diffraction, Electrochemical, And Genotoxic Properties Of A New Azo-Schiff Base And Its Metal Complexes, Mustafa Bal, Gökhan Ceyhan, Bariş Avar, Muhammet Köse, Ahmet Kayraldiz, Mükerrem Kurtoğlu

Turkish Journal of Chemistry

A new, substituted 2-[(E)-{[4-(benzyloxy)phenyl]imino} methyl]-4-[(E)-(4-nitrophenyl)diazenyl]phenol azo-azomethine ligand (mbH) was synthesized from 2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzaldehyde and 4-benzyloxyanilinehydrochloride in ethyl alcohol solution. These mononuclear Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) complexes of the ligand were prepared and their structures were proposed by elemental analysis, and infrared and ultraviolet-visible spectroscopy; the proton NMR spectrum of the mbH ligand was also recorded. The azo-azomethine ligand, mbH, behaves as a bidentate ligand coordinating through the nitrogen atom of the azomethine (--CH=N--) and the oxygen atom of the phenolic group. Elemental analyses indicated that the metal:ligand ratio was 1:2 in the metal chelates. Powder X-ray diffraction parameters suggested …

Spectrophotometric Determination Of Molybdenum Using Surfactant-Mediated Liquid--Liquid Extraction, Rameshwar Dass, Jitander Kumar Kapoor, Sunita Gambhir

Turkish Journal of Chemistry

A new spectrophotometric method has been developed for determination of molybdenum using surfactant-mediated liquid--liquid extraction. Molybdenum(V) obtained by ascorbic acid reduction in 2.5 M H_2SO_4 reacted spontaneously with thiocyanate and cetyl trimethyl ammonium bromide (CTAB), forming an intense orange yellow complex that was extracted quantitatively into 1,2-dichloroethane and absorbed at 460 nm. The absorbance of the extract was found to be stable for more than 24 h. Beer's law was obeyed over the concentration range 0.1--4.2 \mu g Mo mL^{-1} of the extract. The linear range for an accurate determination was found to be 1.2--2.6 \mu g Mo mL^{-1}. The …

An Efficient Synthesis Of Some New Bisbenzimidazoles Via Microwave Technique, Bahi̇tti̇n Kahveci̇, Nesri̇n Karaali̇, Fati̇h Yilmaz, Emre Menteşe

Turkish Journal of Chemistry

2,2'-[1,4 (1,3)-Phenylenedi(methylene)]bis-1H-benzimidazole derivatives were obtained from the reaction of 1,4- or (1,3)-bisiminoester hydrochloride and o-phenylenediamine derivatives under microwave irradiation. Ester and hydrazide derivatives were prepared from a free NH group. This practical method revealed good results for yield, reaction time, and quick isolation of products.

Novel N-Acyl/Aroyl-2-(5-Phenyl-2h-Tetrazol-2-Yl)Acetohydrazides: Synthesis And Characterization, Aamer Saeed, Majid Hussain, Muhammad Qasim

Turkish Journal of Chemistry

A number of novel N-acyl/aroyl-2-(5-phenyl-2H-tetrazol-2-yl)acetohydrazides (4a--j) of biological interest were efficiently synthesized by treating 2-(5-phenyl-2H-tetrazole-2-yl)acetohydrazide (3) with a variety of aroyl/hetero- cyclyl or alkanoyl chlorides. FTIR, ^1H NMR, ^{13}C NMR, GC-MS, and elemental analyses data confirmed the structures assigned to the newly synthesized compounds.

Facile Synthesis Of 5-Bromotropono[C]-Fused Pyrazoles And Isoxazole, Yang Li, Liangyu Xu, Wentao Gao

Turkish Journal of Chemistry

A facile synthesis of a series of new 5-bromotropono[c]pyrazole derivatives (3 and 10--15) as well as 5-bromotropono[c]isoxazole (17) is described, involving a condensation reaction of 3-acetyl-5-bromotropolone (1) with hydrazine monohydrate (2), arylhydrazine hydrochlorides (4--9), and hydroxylamine hydrochloride (16), respectively. All the synthesized compounds were obtained in good yields of 56%--77% and their structures were characterized by spectral data and HRMS.

Synthesis, Spectral Characterisation, Electrochemical, And Fluorescence Studies Of Biologically Active Novel Schiff Base Complexes Derived From E-4-(2-Hydroxy-3-Methoxybenzlideneamino)-N-(Pyrimidin-2-Yl)Benzenesulfonamide, Valarmathy Govindaraj, Subbalakshmi Ramanathan

Turkish Journal of Chemistry

A new Schiff base was prepared from 2-sulphanilamidopyrimidine and 2-hydroxy-3-methoxybenzaldehyde in ethanolic media and it was complexed with Mn(II), Co(II), Ni(II), Cu(II), and Zn(II) ions. The synthesised ligand and complexes were characterised by IR, UV, ^1H and ^{13}C NMR, elemental analysis, cyclic voltammetry, EPR, molar conductance, and magnetic susceptibility. The reasonable shifts in FT-IR and NMR spectral signals of the complexes with respect to the free ligand confirm good coordination of the Schiff-base ligand with the metal through imine nitrogen and oxygen atoms of Schiff base moiety. The Schiff-base ligand and the complexes were screened for antimicrobial activity and fluorescent …

Development Of 2-Acetylpyridine-4-Phenyl-3-Thiosemicarbazone Functionalized Polymeric Resin For The Preconcentration Of Metal Ions Prior To Their Ultratrace Determinations By Mis-Faas, Ali Nawaz Siyal, Saima Qayoom Memon, Aydan Elçi̇, Ümi̇t Di̇vri̇kli̇, Muhammad Yar Khuhawar, Lati̇f Elçi̇

Turkish Journal of Chemistry

2-Acetylpyridine-4-phenyl-3-thiosemicarbazone (APPT) ligand was incorporated onto Amberlite XAD-2 resin through an azo spacer and characterized by FTIR spectroscopy, elemental analysis, TGA, and SEM analysis. The synthesized resin was used for the preconcentration of Pb(II), Zn(II), Co(II), Ni(II), Cu(II), and Cd(II) ions. The sorbed metal ions were eluted with 10 mL of 2.0 mol L^{-1} HCl and determined by microsample injection coupled flame atomic spectrometry (MIS-FAAS). The recoveries of studied metal ions were \ge 95.1 % with RSD \ge 4.0 % at optimum pH 8; resin amount, 300 mg; flow rates, 2.0 mL min^{-1} (of eluent) and 3.0 mL min^{-1} (sample …

Organic Biomolecules Bind To Phosphate Through Borate Linkages In Aqueous Solutions, Nazi̇k Aydoğmuş, Dursun Ali̇ Köse, Michael Andrew Beckett, Bi̇rgül Karan

Turkish Journal of Chemistry

Solutions of salicyclic, ascorbic, and citric acids were reacted with boric acid, followed by NaH_2PO_4. The products, triphosphateborate ester of salicylic acid (1), orthosphateborate ester of ascorbic acid (2), triphosphateborate ester of ascorbic acid (3), and orthosphateborate ester of citric acid (4), were flash precipitated with cold acetone and characterised by microanalysis, thermal analysis, FT-IR, Raman, ^{11}B NMR, ^{31}P MAS NMR, and mass spectroscopic techniques. Analytical results indicated the presence of --C--O--B--O--P-- linkages with the attached phosphate groups varying between orthophosphate and triphosphate, depending on the starting material. The biomolecules studied in this work may serve as models in the …

Synthesis And Characterization Of A Novel 3-Amino-1,2,4-Triazole Lead(Ii) Coordination Polymer, Şebnem Esen Sözerli̇, Arzu Özen, İbrahi̇m Kani̇, Deni̇z Demi̇r

Turkish Journal of Chemistry

A novel [Pb_2(\mu-atrz)_2(\mu-CH_3COO)(CH_3COO)]_n (atrz = 3-amino-1,2,4-triazole) complex was synthesized and characterized by IR spectroscopy, thermogravimetric analysis, and single crystal X-ray diffraction. The molecular structure shows that the complex is a coordination polymer in which there are 2 different lead(II) ions with coordination number of 5, Pb(2), and, with a coordination number of 4, Pb(1). Each atrz acts as a bridging ligand between 2 Pb(II) ions through the 2 adjacent nitrogen atoms of the triazole ring. The acetate anions show different types of coordination mode: one acts as a bridge by coordination of the same oxygen atom with Pb(II) ions and …

Green Synthesis Of Fe_3o_4 Nanoparticles By One-Pot Saccharide-Assisted Hydrothermal Method, Ayşe Demi̇r, Abdulhadi̇ Baykal, Hüseyi̇n Sözeri̇

Turkish Journal of Chemistry

A saccharide-assisted hydrothermal route starting from a single iron precursor was employed to study the influence of reducing saccharides on the formation of iron oxide (Fe_3O_4) nanoparticles (NPs). Fe_3O_4 NPs, which were confirmed by X-ray diffraction analysis, were successfully synthesized by a hydrothermal method in which mannose, maltose, lactose, and galactose served as reducing agents. The formation of Fe_3O_4 NPs was also confirmed by Fourier transform infrared spectroscopy. Samples exhibited different crystallite sizes estimated based on line profile fitting as 12 \pm 2, 9 \pm 2, 13 \pm 3, and 9 \pm 3 nm for mannose, maltose, lactose, and galactose, …

Synthesis And Spectral And Thermal Characterization Of New Metal-Free And Metallophthalocyanines: Investigation Of Their Photophysical, Photochemical, And Thin Film Properties, Eli̇f Çelenk Kaya, Mahmut Durmuş, Ekrem Yanmaz, Hali̇t Kanteki̇n

Turkish Journal of Chemistry

Novel tetrasubstituted metal-free (2), zinc (II) (3), cobalt (II) (4), and copper (II) (5) phthalocyanines bearing 2-phenylethanolate groups on the peripheral positions were synthesized by the cyclotetramerization reaction of the phthalonitrile derivative 1. The new compounds were characterized by a combination of IR, ^1H NMR, ^{13}C NMR, UV-Vis, elemental analysis, and MS spectra data. The thermal stabilities of the phthalocyanine compounds were determined by thermogravimetric analysis. For metal-free (2) and zinc (3) phthalocyanines, photochemical (photodegradation and singlet oxygen quantum yields) and photophysical (fluorescence quantum yields and fluorescence lifetimes) properties were analyzed in dimethylsulfoxide (DMSO). The cobalt (4) and copper (5) …

Synthesis And Properties Of Novel Polymeric Metal-Free And Metallophthalocyanines Containing Peripherally Long 1,2-Bis[(3-Oxapropyl)Oxa]Benzene Derivatives, Ahmet Bi̇lgi̇n, Durmuş Yanmaz, Çi̇ğdem Yağci

Turkish Journal of Chemistry

New polymeric phthalocyanine moieties (M = 2H, Zn, Ni, Cu, and Co) were synthesized via polytetracyclomerization reaction of o-bis[3-(3,4-dicyanophenoxy)propyloxy]benzene (3), which can be obtained by the reaction of 4-nitrophthalonitrile with o-bis[(3-hydroxypropyl)oxy]benzene. Aggregation and disaggregation behavior of the polymeric phthalocyanine (5) was studied with some alkali and earth alkali metal cations. Measured intrinsic viscosities of the polymeric phthalocyanines exhibited a substantial decreasing tendency with dilution of the solution. Thermogravimetric analysis was performed under air by using DSC and DTG/TGA techniques and indicated that these polymers have good thermal stability. AC and DC electrical conductivities of the polymeric phthalocyanines were investigated in …

Non-Chromatographic Purification Of Synthetic Bio-Oligomers, Durga Prasad Pokharel

Dissertations, Master's Theses and Master's Reports - Open

Synthetic oligonucleotides and peptides have found wide applications in industry and academic research labs. There are ~60 peptide drugs on the market and over 500 under development. The global annual sale of peptide drugs in 2010 was estimated to be $13 billion. There are three oligonucleotide-based drugs on market; among them, the FDA newly approved Kynamro was predicted to have a $100 million annual sale. The annual sale of oligonucleotides to academic labs was estimated to be $700 million. Both bio-oligomers are mostly synthesized on automated synthesizers using solid phase synthesis technology, in which nucleoside or amino acid monomers are …

Synthesis And Characterization Of Fluorophores For The Detection Of Lanthanides And Actinides, Robinson I. Roacho

Open Access Theses & Dissertations

A series of fluorophores based in the boron dipyrromethene (BODIPY) family were synthesized and characterized. These fluorophores have the capacity of being introduced to a carbamoyl methyl phosphine oxide (CMPO) lanthanide/actinide extractant. These blue, green and red emission fluorophores show high thermal/moisture stability and high fluorescence efficiencies. The fluorescence intensity seems to be dependent on the restricted rotation about the C(8)-C bond in 8-Ph-BODIPY. By taking advantage of this feature, a hydroxyl- containing BODIPY with high fluorescence intensity was synthesized to be incorporated to a CMPO carboxylic acid via esterification. Unfortunately, we did not observe an optical response upon the …

Form Factor Of Pnipam Microgels In Overpacked States, U. Gasser, J. S. Hyatt, J.- J. Lietor-Santos, E. S. Herman, L. Andrew Lyon, A. Fernandez-Nieves

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

We study the form factor of thermoresponsive microgels based on poly(N-isopropylacrylamide) at high generalized volume fractions, ζ, where the particles must shrink or interpenetrate to fit into the available space. Small-angle neutron scattering with contrast matching techniques is used to determine the particle form factor. We find that the particle size is constant up to a volume fraction roughly between random close packing and space filling. Beyond this point, the particle size decreases with increasing particle concentration; this decrease is found to occur with little interpenetration. Noteworthily, the suspensions remain liquid-like for ζ larger than 1, emphasizing the importance of …

Zn(Ii) And Cu(Ii) Adsorption And Retention Onto Iron Oxyhydroxide Nanoparticles: Effects Of Particle Aggregation And Salinity, Rebecca B. Chesne, Christopher S. Kim

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Background: Iron oxyhydroxides are commonly found in natural aqueous systems as nanoscale particles, where they can act as effective sorbents for dissolved metals due to their natural surface reactivity, small size and high surface area. These properties make nanoscale iron oxyhydroxides a relevant option for the remediation of water supplies contaminated with dissolved metals. However, natural geochemical processes, such as changes in ionic strength, pH, and temperature, can cause these particles to aggregate, thus affecting their sorption capabilities and remediation potential. Other environmental parameters such as increasing salinity may also impact metal retention, e. g. when particles are transported …

Modeling Of An Upper Midwest Forest Boundary Layer And Vehicle Indoor Air Quality, Phillip Stratton

Master's Theses and Doctoral Dissertations

The key to understanding tropospheric chemistry begins with the hydroxyl and hydroperoxy radicals. Recent research suggests that there is still considerable uncertainty in our understanding of the sources of these radicals and their role as sinks. The work detailed in this thesis describes a computational approach to modeling the hydroxyl and hydroperoxy radicals in a forest environment and attempts to shed further light on the radical budget in a typical Northern Hardwood forest. Additionally, research was conducted with United States Council for Automotive Research in collaboration with Ford, General Motors, and Chrysler to develop a global standard for vehicle indoor …

Investigation Of Pyrrolizidine Alkaloids In Foods Using Liquid Chromatography Mass Spectrometry, Caroline Griffin

Theses

Pyrrolizidine Alkaloids (PAs) are known plant toxins which can cause hepatic veno-occlusive disease (HVOD) in both humans and livestock when ingested. Although PAs are primarily known for their hepatotoxicity they also induce genotoxicity, carcinogenicity and pneumotoxicity. PAs are consumed through plants as food, for medicinal purposes, or as contaminants of agricultural crops. Aside from ingesting the plants directly PA exposure may occur through the consumption of honey produced by bees that visit PA-containing plants or by drinking milk produced by animals that have consumed PA-containing plants. Possible PA contamination in our food chain is a potential health risk.

To assess …

Synthesis, Characterization And Electrochemical Properties Of Gold Nanomolecules, Vijay Bhaskar Reddy Jupally

Electronic Theses and Dissertations

Chapter 1 gives a brief introduction to the field of gold nanomolecules. Various synthetic protocols and analytical techniques used through out this dissertation are discussed in detail. Size dependent properties of the gold nanomolecules are described. The structure of gold nanomolecules is explained based on the crystal structure of Au25(SCH2CH2Ph)18. The theoretical basis for the stability of the gold nanomolecules is explained using the super atom complex model and geometric parameters. Chapter 2 includes ligand exchange experiments on gold nanomolecules. Ligand exchange experiments are used to modify the monolayer of nanomolecules after synthesis. Ligand exchange reactions are monitored by mass …

Characterizing Non-Covalent Interactions And Peptide Bond Formation With Electronic Structure Theory, Eric Van Dornshuld

Electronic Theses and Dissertations

The development and application of quantum mechanics has exploded in the past century. The rules of classical mechanics were found to be completely insufficient when applied to a universe that operates on the scale of atomic and subatomic particles. The advancement of quantum theory and computer technology has driven quantum mechanical analyses toward routine in the chemist's laboratory. Chapter 1 briefly outlines some comfailures of classical mechanics from a historical standpoint. Chapter 2 provides a mathematical overview to quantum chemistry including a brief presentation of the analytic solutions to the schrã¶dinger equation for some model systems. Chapter 3 and chapter …

Recommended Isolated-Line Profile For Representing High-Resolution Spectroscopic Transitions (Iupac Technical Report), Jonathan Tennyson, Peter F. Bernath, Alain Campargue, Attila G. Császár, Ludovic Daumont, Robert R. Gamache, Joseph T. Hodges, Daniel Lisak, Olga V. Naumenko, Laurence S. Rothman

Chemistry & Biochemistry Faculty Publications

The report of an IUPAC Task Group, formed in 2011 on "Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory" (Project No. 2011-022-2-100), on line profiles of isolated high-resolution rotational-vibrational transitions perturbed by neutral gas-phase molecules is presented. The well-documented inadequacies of the Voigt profile (VP), used almost universally by databases and radiative-transfer codes, to represent pressure effects and Doppler broadening in isolated vibrational-rotational and pure rotational transitions of the water molecule have resulted in the development of a variety alternative line-profile models. These models capture more of the physics of the influence of pressure …

Compositions And Constituents Of Freshwater Dissolved Organic Matter Isolated By Reverse Osmosis, Yulong Zhang, Wen Huang, Jingdong Mao

Chemistry & Biochemistry Faculty Publications

Dissolved organic matter (DOM) from riverine and lacustrine water was isolated using a reverse osmosis (RO) system. Solid-state ¹³C nuclear magnetic resonance (¹³C NMR) was used to quantitatively evaluate the compositions and constituents of DOM, which are compared with previous investigations on marine DOM. Results indicated that concentration factor (CF) was a key metric controlling yield and sorption of DOM on the RO system. The sorption was likely non-selective, based on the ¹³C NMR and δ¹³C analyses. Carbohydrates and lipids accounted for 25.0–41.5% and 30.2–46.3% of the identifiable DOM, followed by proteins (18.2–19.8%) and …

Wavelength And Temperature-Dependent Apparent Quantum Yields For Photochemical Formation Of Hydrogen Peroxide In Seawater, David J. Kieber, Gary W. Miller, Patrick J. Neale, Kenneth Mopper

Chemistry & Biochemistry Faculty Publications

Wavelength and temperature-dependent apparent quantum yields (AQYs) were determined for the photochemical production of hydrogen peroxide using seawater obtained from coastal and oligotrophic stations in Antarctica, the Pacific Ocean at Station ALOHA, the Gulf of Mexico, and at several sites along the East Coast of the United States. For all samples, AQYs decreased exponentially with increasing wavelength at 25 °C, ranging from 4.6 × 10−4 to 10.4 × 10−4 at 290 nm to 0.17 × 10−4 to 0.97 × 10−4 at 400 nm. AQYs for different seawater samples were remarkably similar irrespective of expected differences in the composition and concentrations …

Synthesis And Characterization Of Ph Responsive D-Glucosamine Based Molecular Gelators, Navneet Goyal, Hari P.R. Mangunuru, Bargav Parikh, Sonu Shrestha, Guijun Wang

Chemistry & Biochemistry Faculty Publications

Small molecular gelators are a class of compounds with potential applications for soft biomaterials. Low molecular weight hydrogelators are especially useful for exploring biomedical applications. Previously, we found that 4,6-O-benzylidene acetal protected D-glucose and D-glucosamine are well-suited as building blocks for the construction of low molecular weight gelators. To better understand the scope of D-glucosamine derivatives as gelators, we synthesized and screened a novel class of N-acetylglucosamine derivatives with a p-methoxybenzylidene acetal protective group. This modification did not exert a negative influence on the gelation. On the contrary, it actually enhanced the gelation tendency for many derivatives. The …

Retrieval Of Carbon Dioxide Vertical Profiles From Solar Occultation Observations And Associated Error Budgets For Ace-Fts And Cass-Fts, C. E. Sioris, C. D. Boone, R. Nassar, K. J. Sutton, I. E. Gordon, K. A. Walker, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

An algorithm is developed to retrieve the vertical profile of carbon dioxide in the 5 to 25 km altitude range using mid-infrared solar occultation spectra from the main instrument of the ACE (Atmospheric Chemistry Experiment) mission, namely the Fourier transform spectrometer (FTS). The main challenge is to find an atmospheric phenomenon which can be used for accurate tangent height determination in the lower atmosphere, where the tangent heights (THs) calculated from geometric and timing information are not of sufficient accuracy. Error budgets for the retrieval of CO₂ from ACE-FTS and the FTS on a potential follow-on mission named CASS …

Validation Of Mipas Imk/Iaa V5r_O3_224 Ozone Profiles, A. Laeng, U. Grabowski, T. Von Clarmann, G. Stiller, N. Glatthor, M. Höpfner, S. Kellmann, M. Kiefer, A. Linden, S. Lossow, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

We present the results of an extensive validation program of the most recent version of ozone vertical profiles retrieved with the IMK/IAA (Institute for Meteorology and Climate Research/Instituto de Astrofisica de Andalucia) MIPAS (Michelson Interferometer for Passive Atmospheric Sounding) research level 2 processor from version 5 spectral level 1 data. The time period covered corresponds to the reduced spectral resolution period of the MIPAS instrument, i.e., January 2005-April 2012. The comparison with satellite instruments includes all post-2005 satellite limb and occultation sensors that have measured the vertical profiles of tropospheric and stratospheric ozone: ACE-FTS, GOMOS, HALOE, HIRDLS, MLS, OSIRIS, POAM, …

Technical Note: Swift - A Fast Semi-Empirical Model For Polar Stratospheric Ozone Loss, M. Rex, S. Kremser, P. Huck, G. Bodeker, I. Wohltmann, M. L. Santee, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

An extremely fast model to estimate the degree of stratospheric ozone depletion during polar winters is described. It is based on a set of coupled differential equations that simulate the seasonal evolution of vortex-averaged hydrogen chloride (HCl), nitric acid (HNO3), chlorine nitrate (ClONO₂), active forms of chlorine (ClO_x = Cl+ClO+2ClOOCl) and ozone (O₃) on isentropic levels within the polar vortices. Terms in these equations account for the chemical and physical processes driving the time rate of change of these species. Eight empirical fit coefficients associated with these terms are derived by iteratively fitting the equations …

Derivation Of Tropospheric Methane From Tccon Ch4 And Hf Total Column Observations, K. M. Saad, D. Wunch, P. Bernath, C. Boone, B. Connor, N. M. Deutscher, D.W.T. Griffith, R. Kivi, J. Notholt, C. Roehl, M. Schneider, V. Sherlock, P. O. Wennberg

Chemistry & Biochemistry Faculty Publications

The Total Carbon Column Observing Network (TCCON) is a global ground-based network of Fourier transform spectrometers that produce precise measurements of column-averaged dry-air mole fractions of atmospheric methane (CH₄). Temporal variability in the total column of CH₄ due to stratospheric dynamics obscures fluctuations and trends driven by tropospheric transport and local surface fluxes that are critical for understanding CH₄ sources and sinks. We reduce the contribution of stratospheric variability from the total column average by subtracting an estimate of the stratospheric CH₄ derived from simultaneous measurements of hydrogen fluoride (HF). HF provides a proxy for …

Drift Corrected Trends And Periodic Variations In Mipas Imk/Iaa Ozone Measurements, E. Eckert, T. Von Clarmann, M. Kiefer, G. P. Stiller, S. Lossow, N. Glatthor, D. A. Degenstein, L. Froidevaux, S. Godin-Beekmann, T. Leblanc, S. Mcdermid, M. Pastel, W. Steinbrcht, D.P.J. Swart, K. A. Walker, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

Drifts, trends and periodic variations were calculated from monthly zonally averaged ozone profiles. The ozone profiles were derived from level-1b data of the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) by means of the scientific level-2 processor run by the Karlsruhe Institute of Technology (KIT), Institute for Meteorology and Climate Research (IMK). All trend and drift analyses were performed using a multilinear parametric trend model which includes a linear term, several harmonics with period lengths from 3 to 24 months and the quasi-biennial oscillation (QBO). Drifts at 2-sigma significance level were mainly negative for ozone relative to Aura MLS and …

Fourier Transform Infrared Emission Spectra Of Mgf₂, Peter Bernath, Daniel Frohman, Jacek Koput

Chemistry & Biochemistry Faculty Publications

High resolution infrared emission spectra of hot MgF₂ in the 700 to 1300 cm-1 region have been recorded. The molecules were generated by heating solid MgF₂ to 1675 °C. Four vibrational bands were rotationally analyzed yielding band origins and rotational constants. Observed bands are: 001-000 (Σu+ - Σg+), 01¹1 - 01¹0 (Πg - Πu), 02²1 (f parity) - 02²0 (f parity) (Δu - Δg), and 03³1 - 03³0 (Φg - Φu). High level ab initio calculations were essential in making assignments and in helping to fit …