Ekaterina I Izgorodina

Summary

Affiliation: Monash University
Country: Australia

Publications

  1. doi request reprint Nature of hydrogen bonding in charged hydrogen-bonded complexes and imidazolium-based ionic liquids
    Ekaterina I Izgorodina
    School of Chemistry, Monash University, Clayton, Victoria, Australia
    J Phys Chem B 115:14659-67. 2011
  2. doi request reprint Large-scale ab initio calculations of archetypical ionic liquids
    Ekaterina I Izgorodina
    School of Chemistry, Monash University, Wellington Rd, Clayton, VIC 3800, Australia
    Chem Commun (Camb) 48:1493-5. 2012
  3. ncbi request reprint Protic pharmaceutical ionic liquids and solids: aspects of protonics
    Jelena Stoimenovski
    School of Chemistry, Monash University, Clayton, Victoria, 3800, Australia
    Faraday Discuss 154:335-52; discussion 439-64, 465-71. 2012
  4. doi request reprint The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds
    Priscilla Johnston
    Centre for Green Chemistry, Monash University, Clayton, Australia
    Photochem Photobiol Sci 11:1938-51. 2012
  5. ncbi request reprint Aluminium Speciation in 1-Butyl-1-Methylpyrrolidinium Bis(trifluoromethylsulfonyl)amide/AlCl(3) Mixtures
    Nathalie M Rocher
    Australian Centre for Electromaterials Science, Monash University, Clayton, Victoria 3800 Australia
    Chemistry 15:3435-47. 2009
  6. doi request reprint Ionicity and proton transfer in protic ionic liquids
    Jelena Stoimenovski
    School of Chemistry, Monash University, Clayton, Victoria 3800, Australia
    Phys Chem Chem Phys 12:10341-7. 2010
  7. doi request reprint Ion-pair binding energies of ionic liquids: can DFT compete with ab initio-based methods?
    Ekaterina I Izgorodina
    School of Chemistry, Monash University, Clayton, VIC 3800
    J Phys Chem A 113:7064-72. 2009
  8. doi request reprint Assessment of atomic partial charge schemes for polarisation and charge transfer effects in ionic liquids
    Jason Rigby
    School of Chemistry, Monash University, Wellington Road, Clayton VIC 3800, Australia
    Phys Chem Chem Phys 15:1632-46. 2013
  9. doi request reprint Ab initio prediction of proton NMR chemical shifts in imidazolium ionic liquids
    Su Chen
    School of Chemistry, Monash University, Wellington Road, Clayton, Vic, Australia 3800
    J Phys Chem B 117:3186-97. 2013
  10. ncbi request reprint Understanding the effect of the c2 proton in promoting low viscosities and high conductivities in imidazolium-based ionic liquids: part I. Weakly coordinating anions
    Ekaterina I Izgorodina
    School of Chemistry, Monash University, Wellington Rd, Clayton, VIC 3800, Australia
    J Phys Chem B 115:14688-97. 2011

Collaborators

Detail Information

Publications11

  1. doi request reprint Nature of hydrogen bonding in charged hydrogen-bonded complexes and imidazolium-based ionic liquids
    Ekaterina I Izgorodina
    School of Chemistry, Monash University, Clayton, Victoria, Australia
    J Phys Chem B 115:14659-67. 2011
    ..From the experimental point of view, a vibrational red shift is expected in the hydrogen-bonded complexes of imidazolium-based ionic liquids, whereas the ion-ion interactions are more likely to produce a slight blue shift...
  2. doi request reprint Large-scale ab initio calculations of archetypical ionic liquids
    Ekaterina I Izgorodina
    School of Chemistry, Monash University, Wellington Rd, Clayton, VIC 3800, Australia
    Chem Commun (Camb) 48:1493-5. 2012
    ..These are used to validate the computationally efficient Fragment Molecular Orbital approach applied to these semi-Coulombic systems, paving the way towards accurate prediction of their transport properties...
  3. ncbi request reprint Protic pharmaceutical ionic liquids and solids: aspects of protonics
    Jelena Stoimenovski
    School of Chemistry, Monash University, Clayton, Victoria, 3800, Australia
    Faraday Discuss 154:335-52; discussion 439-64, 465-71. 2012
    ..This was further explored via crystal structures of related compounds, which showed that extended hydrogen bonded clusters tend to form in these salts. These clusters may dictate membrane transport properties of these compounds in vivo...
  4. doi request reprint The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds
    Priscilla Johnston
    Centre for Green Chemistry, Monash University, Clayton, Australia
    Photochem Photobiol Sci 11:1938-51. 2012
    ..These results were used to rationalise the solid-state photo-reactivity of more complex bis-thyminyl monomers...
  5. ncbi request reprint Aluminium Speciation in 1-Butyl-1-Methylpyrrolidinium Bis(trifluoromethylsulfonyl)amide/AlCl(3) Mixtures
    Nathalie M Rocher
    Australian Centre for Electromaterials Science, Monash University, Clayton, Victoria 3800 Australia
    Chemistry 15:3435-47. 2009
    ..The data indicate that the electroactive species involved are likely to be either [AlCl(3)(NTf(2))](-) or [AlCl(2)(NTf(2))(2)](-)...
  6. doi request reprint Ionicity and proton transfer in protic ionic liquids
    Jelena Stoimenovski
    School of Chemistry, Monash University, Clayton, Victoria 3800, Australia
    Phys Chem Chem Phys 12:10341-7. 2010
    ..The origins of this seem to be related to the hydrogen bonding ability of the ammonium ions in providing a good solvating environment for the ions produced by the proton transfer...
  7. doi request reprint Ion-pair binding energies of ionic liquids: can DFT compete with ab initio-based methods?
    Ekaterina I Izgorodina
    School of Chemistry, Monash University, Clayton, VIC 3800
    J Phys Chem A 113:7064-72. 2009
    ..DFT functionals that can potentially be used to study binding energies of ionic liquids are identified...
  8. doi request reprint Assessment of atomic partial charge schemes for polarisation and charge transfer effects in ionic liquids
    Jason Rigby
    School of Chemistry, Monash University, Wellington Road, Clayton VIC 3800, Australia
    Phys Chem Chem Phys 15:1632-46. 2013
    ..The Connolly and Geodesic RESP schemes were found to slightly outperform ChelpG. Evidence to suggest that chloride-based ILs might be poor model systems for ILs is also presented...
  9. doi request reprint Ab initio prediction of proton NMR chemical shifts in imidazolium ionic liquids
    Su Chen
    School of Chemistry, Monash University, Wellington Road, Clayton, Vic, Australia 3800
    J Phys Chem B 117:3186-97. 2013
    ....
  10. ncbi request reprint Understanding the effect of the c2 proton in promoting low viscosities and high conductivities in imidazolium-based ionic liquids: part I. Weakly coordinating anions
    Ekaterina I Izgorodina
    School of Chemistry, Monash University, Wellington Rd, Clayton, VIC 3800, Australia
    J Phys Chem B 115:14688-97. 2011
    ....
  11. ncbi request reprint On the components of the dielectric constants of ionic liquids: ionic polarization?
    Ekaterina I Izgorodina
    School of Chemistry, Monash University, Clayton, Vic 3800 Melbourne, Australia
    Phys Chem Chem Phys 11:2452-8. 2009
    ..Thus it is concluded that a contribution from a form of "ionic polarization" must be present...