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Inorganic Chemistry Commons™

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Chemistry & Biochemistry Faculty Publications

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Articles 1 - 13 of 13

Full-Text Articles in Inorganic Chemistry

Unraveling Visible Spectra Of S-Type Stars: The F3Δ–A3Δ (Α System) And E3Π–A3Δ (Β System) Band Systems Of Zro, Manish Bhusal, Peter Bernath, Jacques Liévin Jan 2025

Unraveling Visible Spectra Of S-Type Stars: The F3Δ–A3Δ (Α System) And E3Π–A3Δ (Β System) Band Systems Of Zro, Manish Bhusal, Peter Bernath, Jacques Liévin

Chemistry & Biochemistry Faculty Publications

ZrO has many low-lying states, and its spectra are essential for the characterization of S-type stars. A high-resolution emission spectrum recorded with a Fourier transform spectrometer at the National Solar Observatory is used for the analysis. The 0–0 and 1–0 bands of the f³Δ-a³Δ system (α system) and the 0–0 band of the e³Π-a³Δ system (β system) have been rotationally analyzed using the modern spectral fitting program PGOPHER. New ab initio calculations of transition dipole moments have been performed to determine the band strengths. These band strengths are used to produce line lists that are suitable for the …


Amphiphilic Tripodal Metalloligands: Synthesis, Coordination Chemistry And Preliminary Catalysis, Austin W. Medley, Paul D. Miller, Craig A. Bayse, Robert D. Pike, Trandon A. Bender Jan 2025

Amphiphilic Tripodal Metalloligands: Synthesis, Coordination Chemistry And Preliminary Catalysis, Austin W. Medley, Paul D. Miller, Craig A. Bayse, Robert D. Pike, Trandon A. Bender

Chemistry & Biochemistry Faculty Publications

Triscatecholate binding has been widely studied in the context of biological systems, supramolecular chemistry, and weak aggregate interactions. However, the utilization of the triscatecholate binding motif for the preparation of metalloligands remains unexplored. Herein, we report the synthesis, structural characterization, and functional studies of a triscatecholate ligand with an appended pyridyl residue as a candidate for such applications. Our findings reveal that the selective formation of cis-triscatecholate-based metalloligands is influenced by electronic effects on the catecholate anions, enabling the targeted synthesis of Al(III), Ga(III), and In(III) triscatecholate metalloligands capable of binding Zn(II) and Ru(II) at the appended pyridyl moiety for …


S-Type Stars: Line List For The A²Π-X²Σ⁺ Band System Of Lao, P. F. Bernath, R. Dodangodage, J. Liévin Jan 2023

S-Type Stars: Line List For The A²Π-X²Σ⁺ Band System Of Lao, P. F. Bernath, R. Dodangodage, J. Liévin

Chemistry & Biochemistry Faculty Publications

LaO bands are found in the spectra of cool S-type stars. The bands of the A2Π–X2Σ+ transition with v' ⩽ 3 and v'' ≤ 4 are rotationally analyzed, providing spectroscopic constants for the A2Π state. Line strengths are calculated using an ab initio transition dipole moment function, and radiative lifetimes for the A2Π state have also been computed. A line list for the A2Π–X2Σ+ transition of LaO is provided and can be used to determine LaO stellar abundances.


S-Type Stars: Lao Line List For The B²Σ⁺-X²Σ⁺ Band System, P. F. Bernath, Randika Dodangodage, J. Liévin Jan 2022

S-Type Stars: Lao Line List For The B²Σ⁺-X²Σ⁺ Band System, P. F. Bernath, Randika Dodangodage, J. Liévin

Chemistry & Biochemistry Faculty Publications

LaO bands are a characteristic feature in the spectrum of cool S-type stars. La is made primarily by the s-process during the asymptotic giant branch phase of stellar evolution. The B2Σ+–X2Σ+ and A2Π–X2Σ+ band systems can be used to determine the La abundances in cool S stars. The bands of the B2Σ+–X2Σ+ with v' and v" ⩽ 5 have been rotationally analyzed from an emission spectrum from a carbon furnace. Line strengths are calculated using an ab initio transition dipole …


Photodynamic Therapy Of Inorganic Complexes For The Treatment Of Cancer, Chloe B. Smith, Lindsay C. Days, Duaa R. Alajroush, Khadija Faye, Yara Khodour, Stephen J. Beebe, Alvin Holder Jan 2021

Photodynamic Therapy Of Inorganic Complexes For The Treatment Of Cancer, Chloe B. Smith, Lindsay C. Days, Duaa R. Alajroush, Khadija Faye, Yara Khodour, Stephen J. Beebe, Alvin Holder

Chemistry & Biochemistry Faculty Publications

Photodynamic therapy (PDT) is a medicinal tool that uses a photosensitiser and a light source to treat several conditions, including cancer. PDT uses reactive oxygen species (ROS) such as cytotoxic singlet oxygen 1O2 to induce cell death in cancer cells. Chemotherapy has historically utilized the cytotoxic effects of many metals, especially transition-metal complexes. However, chemotherapy is a systemic treatment so all cells in a patient's body are exposed to the same cytotoxic effects. Transition metal complexes have also shown high cytotoxicity as PDT agents. PDT is a potential localized method for treating several cancer types by using inorganic …


Phosgene In The Upper Troposphere And Lower Stratosphere: A Marker For Product Gas Injection Due To Chlorine-Containing Very Short Lived Substances, Jeremy J. Harrison, Martyn P. Chipperfield, Ryan Hossaini, Christopher D. Boone, Sandip Dhomse, Wuhu Feng, Peter F. Bernath Jan 2019

Phosgene In The Upper Troposphere And Lower Stratosphere: A Marker For Product Gas Injection Due To Chlorine-Containing Very Short Lived Substances, Jeremy J. Harrison, Martyn P. Chipperfield, Ryan Hossaini, Christopher D. Boone, Sandip Dhomse, Wuhu Feng, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

Abstract: Phosgene in the atmosphere is produced via the degradation of carbon tetrachloride, methyl chloroform, and a number of chlorine‐containing very short lived substances (VSLS). These VSLS are not regulated by the Montreal Protocol even though they contribute to stratospheric ozone depletion. While observations of VSLS can quantify direct stratospheric source gas injection, observations of phosgene in the upper troposphere/lower stratosphere can be used as a marker of product gas injection of chlorine‐containing VSLS. In this work we report upper troposphere/lower stratosphere measurements of phosgene made by the ACE‐FTS (Atmospheric Chemistry Experiment Fourier Transform Spectrometer) instrument and compare with results …


Depletion Of Ozone And Reservoir Species Of Chlorine And Nitrogen Oxide In The Lower Antarctic Polar Vortex Measured From Aircraft, T. Jurkat, C. Voigt, S. Kaufmann, J.-U. Grooß, H. Ziereis, A. Dörnbrack, P. Hoor, H. Bozem, A. Engel, H. Bönisch, P. F. Bernath Jun 2017

Depletion Of Ozone And Reservoir Species Of Chlorine And Nitrogen Oxide In The Lower Antarctic Polar Vortex Measured From Aircraft, T. Jurkat, C. Voigt, S. Kaufmann, J.-U. Grooß, H. Ziereis, A. Dörnbrack, P. Hoor, H. Bozem, A. Engel, H. Bönisch, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

Novel airborne in situ measurements of inorganic chlorine, nitrogen oxide species, and ozone were performed inside the lower Antarctic polar vortex and at its edge in September 2012. We focus on one flight during the Transport and Composition of the LMS/Earth System Model Validation (TACTS/ESMVal) campaign with the German research aircraft HALO (High-Altitude LOng range research aircraft), reaching latitudes of 65°S and potential temperatures up to 405 K. Using the early winter correlations of reactive trace gases with N2O from the Atmospheric Chemistry Experiment-Fourier Transform Spectrometer (ACE-FTS), we find high depletion of chlorine reservoir gases up to ∼40% …


The Role Of Sulfur Dioxide In Stratospheric Aerosol Formation Evaluated By Using In Situ Measurements In The Tropical Lower Stratosphere, A. W. Rollins, T. D. Thornberry, L. A. Watts, P. Yu, K. H. Rosenlof, M. Mills, E. Baumann, F. R. Giorgetta, T. V. Bui, M. Höpfner, P. F. Bernath May 2017

The Role Of Sulfur Dioxide In Stratospheric Aerosol Formation Evaluated By Using In Situ Measurements In The Tropical Lower Stratosphere, A. W. Rollins, T. D. Thornberry, L. A. Watts, P. Yu, K. H. Rosenlof, M. Mills, E. Baumann, F. R. Giorgetta, T. V. Bui, M. Höpfner, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

Stratospheric aerosols (SAs) are a variable component of the Earth's albedo that may be intentionally enhanced in the future to offset greenhouse gases (geoengineering). The role of tropospheric-sourced sulfur dioxide (SO2) in maintaining background SAs has been debated for decades without in situ measurements of SO2 at the tropical tropopause to inform this issue. Here we clarify the role of SO2 in maintaining SAs by using new in situ SO2 measurements to evaluate climate models and satellite retrievals. We then use the observed tropical tropopause SO2 mixing ratios to estimate the global flux of …


Nitrous Oxide In The Atmosphere: First Measurements Of A Lower Thermospheric Source, Patrick E. Sheese, Kaley A. Walker, Chris D. Boone, Peter F. Bernath, Bernd Funke Mar 2016

Nitrous Oxide In The Atmosphere: First Measurements Of A Lower Thermospheric Source, Patrick E. Sheese, Kaley A. Walker, Chris D. Boone, Peter F. Bernath, Bernd Funke

Chemistry & Biochemistry Faculty Publications

Nitrous oxide (N2O) is an important anthropogenic greenhouse gas, as well as one of the most significant anthropogenic ozone-depleting substances in the stratosphere. The satellite-based instrument Atmospheric Chemistry Experiment-Fourier Transform Spectrometer has been observing the Earth's limb since 2004 and derives profiles of N2O volume mixing ratios in the upper troposphere to the lower thermosphere. The resulting climatology shows that N2O is continuously produced in the lower thermosphere via energetic particle precipitation and enhanced N2O is present at all latitudes, during all seasons. The results are consistent with an N2O …


Interesting Properties Of P-, D-, And F-Block Elements When Coordinated With Dipicolinic Acid And Its Derivatives As Ligands: Their Use As Inorganic Pharmaceuticals, Michael J. Celestine, Jimmie L. Bullock, Shivani Boodram, Varma H. Rambaran, Alvin A. Holder Jan 2015

Interesting Properties Of P-, D-, And F-Block Elements When Coordinated With Dipicolinic Acid And Its Derivatives As Ligands: Their Use As Inorganic Pharmaceuticals, Michael J. Celestine, Jimmie L. Bullock, Shivani Boodram, Varma H. Rambaran, Alvin A. Holder

Chemistry & Biochemistry Faculty Publications

This is a review of the literature concerning the interesting properties of p-, d-, and f-block elements when coordinated with 2,6-pyridinedicarboxylic acid (dipicolinic acid, H2dipic) and its derivatives as ligands, with a focus on their use as inorganic pharmaceuticals. Some of the complexes reported were used as insulin-like, bioimaging contrasting agents, antimicrobial agents, and anticancer agents.


Tunable Gold Nanostructures With Nanocapsules As Template Reaction Vessels, Balasubramanian Ramjee, Srujana Prayakarao, Sangbum Han, Wei Cao Jan 2012

Tunable Gold Nanostructures With Nanocapsules As Template Reaction Vessels, Balasubramanian Ramjee, Srujana Prayakarao, Sangbum Han, Wei Cao

Chemistry & Biochemistry Faculty Publications

Hollow, polymeric, thiol-ene resorcinarene nanocapsules can act as template reaction vessels for the synthesis of gold nanoshells or spherical aggregates of gold nanoparticles depending on the reaction conditions. The spherical nanoparticle aggregates were evaluated as catalysts in the biphasic reduction of 4-nitrophenol.


Come For The Content, Stay For The Community, Hilary J. Eppley Jan 2009

Come For The Content, Stay For The Community, Hilary J. Eppley

Chemistry & Biochemistry Faculty Publications

No abstract provided.


Zeolite Activation Of Organometallics: Revisiting Substitution Kinetics Of [Mo(Co)6] With Chemisorbed Pme3 In Dehydrated Na56Y Zeolite, Anthony L. Fernandez, Jianbin Hao, Roberta L. Parkes, Anthony J. Poë, Eduardo J.S. Vichi Jan 2008

Zeolite Activation Of Organometallics: Revisiting Substitution Kinetics Of [Mo(Co)6] With Chemisorbed Pme3 In Dehydrated Na56Y Zeolite, Anthony L. Fernandez, Jianbin Hao, Roberta L. Parkes, Anthony J. Poë, Eduardo J.S. Vichi

Chemistry & Biochemistry Faculty Publications

Reactions of [Mo(CO)6] under vacuum in α-cages of Na56Y zeolite fully loaded with chemisorbed PMe3 form cis-[Mo(CO)4(PMe3)2] but mixtures of [Mo(CO)5(PMe3)] and cis-[Mo(CO)4(PMe3)2] are formed under CO. Reactions under vacuum exhibit low enthalpic and very negative entropic factors (ΔH = 71.4 ± 3.5 kJ mol-1 and ΔS = -102 ± 11 J K-1 mol-1) compared with much higher enthalpic and positive entropic factors for CO dissociative reactions with P(n-Bu) …