Carolyn N. Virca

ORCID: 0000-0003-2736-355X
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About
Contact & Profiles
Research Areas
  • Crystallization and Solubility Studies
  • X-ray Diffraction in Crystallography
  • Electrocatalysts for Energy Conversion
  • Electrochemical Analysis and Applications
  • Analytical Chemistry and Sensors
  • CO2 Reduction Techniques and Catalysts
  • Advanced battery technologies research
  • Luminescence and Fluorescent Materials
  • Molecular Sensors and Ion Detection
  • Metalloenzymes and iron-sulfur proteins
  • Organometallic Complex Synthesis and Catalysis
  • Chemical Reaction Mechanisms
  • Advanced biosensing and bioanalysis techniques
  • Crystallography and molecular interactions
  • Metal complexes synthesis and properties
  • Gas Sensing Nanomaterials and Sensors
  • Free Radicals and Antioxidants
  • Fuel Cells and Related Materials
  • Carbon and Quantum Dots Applications
  • Nanomaterials for catalytic reactions
  • Organic Chemistry Cycloaddition Reactions
  • Magnetism in coordination complexes
  • Catalysts for Methane Reforming
  • Water Quality Monitoring and Analysis
  • Advanced Battery Technologies Research

Portland State University
2015-2022

University of British Columbia
2019

University of Portland
2016

Liberal Arts University
2015

Lattice strain can enhance the activity and selectivity of electrochemical reactions by breaking linear scaling relationship. Notwithstanding, explicit use to affect CO2 reduction reaction (CO2RR) is rarely reported. In this Perspective, we highlight opportunity CO2RR electrocatalysts. We summarize existing challenges in isolating influence from convoluting factors (e.g., size, shape, electronic, surfactant effects) that result typical methods inducing strain. also propose ways isolate...

10.1021/acsenergylett.9b00191 article EN ACS Energy Letters 2019-04-02

Nickel pyridine 2-thiolate (Ni(PyS)3(-)) has shown good stability and activity as a H2 generation catalyst for use in solar energy storage. The experimentally proposed catalytic pathway is explored using DFT calculations. Free changes along the reaction coordinate, spin states, localization of charge geometry intermediates were explored. Calculations performed Gaussian 09 with B3P86/6-31+G(d) basis set CPCM water solvation model. Of particular interest our findings that first reduction...

10.1039/c5dt02044a article EN cc-by-nc Dalton Transactions 2015-01-01

Coordination chemistry of thiophene rings is poorly understood, despite their common use in organic electronic materials. The absorption and emission responses to transition metal ions three thiophene-based ligands containing pyridine chelating groups are examined. These ligands, 2-(2′-thienyl)-pyridine (L1), 2,5-bis(2-pyridyl)thiophene (L2), 2,6-bis(2-thienyl)pyridine (L3), show a ratiometric fluorescence response the presence Hg(ClO4)2 with reasonable selectivity against many acetonitrile....

10.1080/00958972.2016.1164851 article EN Journal of Coordination Chemistry 2016-03-16

The electrochemical oxidation of selected tert-butylated phenols 2,6-di-tert-butyl-4-methylphenol (1), 2,6-di-tert-butylphenol (2), 2,4,6-tri-tert-butylphenol (3), 2-tert-butylphenol (4), and 4-tert-butylphenol (5) was studied in an aprotic environment using cyclic voltammetry, square-wave UV–vis spectroscopy. All compounds exhibited irreversible the corresponding phenol or phenolate ion. Compound 2 selectively electrochemically oxidized, while other analogues underwent mostly chemical...

10.1021/acs.jpcb.6b06135 article EN The Journal of Physical Chemistry B 2016-07-25

The effects of ligand modification on the catalytic mechanism hydrogen production by Ni(PyS)3- derivatives, made with electron-withdrawing and -donating substitutions to pyridinethiolate (PyS)- ligands, are studied experimentally computationally using density functional theory. Thermodynamic data, spin maps, frontier molecular orbital diagrams were generated for reaction intermediates. Comparison computed values E0 p Ka experimental supports proposed mechanisms. rate electrochemical is...

10.1021/acs.jpca.7b11912 article EN The Journal of Physical Chemistry A 2018-02-28

Hydrogen gas is produced photocatalytically using 470 nm light, PVP-coated carbon quantum dots (CQDs) as the photosensitizer, and nickel nanoparticles (NiNPs) catalyst. The effect of amount polyvinylpyrrolidone (PVP) on ability CQD/NiNP composites to catalyze proton reduction was studied. A maximum 330 mmols H2/g CQD 68 μg ml−1 CQDs 6 NiNPs, with activity persisting for 4 h when 20 wt%-PVP-coated were used. H2 production yield under these conditions 6%. It found that having higher weight...

10.1088/1361-6528/aa6ae3 article EN Nanotechnology 2017-04-04

Ratiometric absorption and emission response to mercury(<sc>ii</sc>) is observed for pyridyl-thiophene ligands with water-solubilizing groups that increase binding affinity demonstrate thiophene–metal interactions.

10.1039/c9me00055k article EN Molecular Systems Design & Engineering 2019-07-01

This work demonstrates the impact of intramolecular hydrogen bonding (H-bonding) on calculated pKa octahedral tris-(pyridinethiolato)nickel(II), [Ni(PyS)3]-, proton reduction catalysts. Density Functional Theory (DFT) calculations a [Ni(PyS)3]- catalyst, and eleven derivatives, demonstrate geometric isomer formation in protonation step catalytic cycle. Through Quantum Atoms Molecules (QTAIM), we show that each is driven by H-bonding pyridyl nitrogen to sulfur neighboring ligand. ligand...

10.1039/d2dt00043a article EN Dalton Transactions 2022-01-01

We present an analytical electrolyzer with sensors embedded within flow plates to enable direct measurement of electrolyte temperatures and pressures in real time during water electrolysis. Flow either parallel or serpentine channels a total eight equally spaced were integrated into cell containing nickel foam gas diffusion layer anion exchange membrane. The temperature pressure the increase relative inlet by as much 7.3 °C 11.5 kPa, respectively, electrolysis at applied current density 200...

10.1063/1.5053600 article EN Review of Scientific Instruments 2019-07-01
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