Timothy W Schmidt

Summary

Affiliation: University of Sydney
Country: Australia

Publications

  1. ncbi request reprint Oscillator strengths of the Mulliken, Swan, Ballik-Ramsay, Phillips, and d3Pi g<--c 3Sigma u+ systems of C2 calculated by MRCI methods utilizing a biorthogonal transformation of CASSCF orbitals
    Timothy W Schmidt
    School of Chemistry, University of Sydney, New South Wales 2006, Australia
    J Chem Phys 127:234310. 2007
  2. ncbi request reprint On the efficiency limit of triplet-triplet annihilation for photochemical upconversion
    Yuen Yap Cheng
    School of Chemistry, The University of Sydney, NSW 2006, Australia
    Phys Chem Chem Phys 12:66-71. 2010
  3. doi request reprint Hydrogen-atom attack on phenol and toluene is ortho-directed
    Olha Krechkivska
    School of Chemistry, University of New South Wales, Kensington, NSW 2052, Australia
    Phys Chem Chem Phys 18:8625-36. 2016
  4. doi request reprint Excitation spectra of the jet-cooled 4-phenylbenzyl and 4-(4'-methylphenyl)benzyl radicals
    Nahid Chalyavi
    School of Chemistry, The University of Sydney, NSW 2006, Australia
    J Phys Chem A 116:10780-5. 2012
  5. doi request reprint Resonance-Enhanced 2-Photon Ionization Scheme for C2 through a Newly Identified Band System: 4(3)Πg-a(3)Πu
    Olha Krechkivska
    School of Chemistry, UNSW, Sydney, NSW 2052, Australia
    J Phys Chem A 119:12102-8. 2015
  6. doi request reprint Synthesis and ultrafast excited-state dynamics of zinc and palladium triply fused diporphyrins
    Derrick A Roberts
    School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia
    J Phys Chem A 116:7898-905. 2012
  7. doi request reprint H and D Attachment to Naphthalene: Spectra and Thermochemistry of Cold Gas-Phase 1-C10H9 and 1-C10H8D Radicals and Cations
    Olha Krechkivska
    School of Chemistry, The University of New South Wales, Sydney, New South Wales 2052, Australia
    J Phys Chem A 119:3225-32. 2015
  8. doi request reprint Hydroxyl addition to aromatic alkenes: resonance-stabilized radical intermediates
    Tyler P Troy
    School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia
    J Phys Chem A 116:7906-15. 2012
  9. doi request reprint Excitation spectra of large jet-cooled polycyclic aromatic hydrocarbon radicals: 9-anthracenylmethyl (C15H11) and 1-pyrenylmethyl (C17H11)
    Gerard D O'Connor
    School of Chemistry, The University of Sydney, NSW 2006, Australia
    J Phys Chem A 117:13899-907. 2013
  10. ncbi request reprint Spectroscopy of the free phenalenyl radical
    Gerard D O'Connor
    School of Chemistry, The University of Sydney, New South Wales 2006, Australia
    J Am Chem Soc 133:14554-7. 2011

Collaborators

  • Maxwell J Crossley
  • Bun Chan
  • Rebecca Jacob
  • Yu Liu
  • Sébastien Perrier
  • Olha Krechkivska
  • Klaas Nauta
  • Tyler P Troy
  • Scott H Kable
  • Nahid Chalyavi
  • Yuen Yap Cheng
  • Gerard D O'Connor
  • Derrick A Roberts
  • George B Bacskay
  • Leo Radom
  • Scott A Reid
  • Murad J Y Tayebjee
  • Raphaël G C R Clady
  • Burkhard Fückel
  • Callan M Wilcox
  • Daniel C Goldstein
  • Tony Khoury
  • Phillip Butler
  • Thomas D Kreuscher
  • Callan Wilcox
  • Raphael G C Clady
  • Pall Thordarson
  • Joshua R Peterson
  • Gabrielle V G Woodhouse
  • Masakazu Nakajima
  • Ambili S Menon
  • Nathaniel J L K Davis
  • John F Stanton
  • N J Ekins-Daukes
  • N J Ekins Daukes
  • David B Moss
  • Hongming Yin

Detail Information

Publications18

  1. ncbi request reprint Oscillator strengths of the Mulliken, Swan, Ballik-Ramsay, Phillips, and d3Pi g<--c 3Sigma u+ systems of C2 calculated by MRCI methods utilizing a biorthogonal transformation of CASSCF orbitals
    Timothy W Schmidt
    School of Chemistry, University of Sydney, New South Wales 2006, Australia
    J Chem Phys 127:234310. 2007
    ..The oscillator strength of the Mulliken origin band, f(00) (DA), was calculated to be 0.0535, in excellent agreement with the accepted astronomical value of 0.054...
  2. ncbi request reprint On the efficiency limit of triplet-triplet annihilation for photochemical upconversion
    Yuen Yap Cheng
    School of Chemistry, The University of Sydney, NSW 2006, Australia
    Phys Chem Chem Phys 12:66-71. 2010
    ..Due to fluorescence quenching, the photon upconversion efficiencies are lower, at 16%...
  3. doi request reprint Hydrogen-atom attack on phenol and toluene is ortho-directed
    Olha Krechkivska
    School of Chemistry, University of New South Wales, Kensington, NSW 2052, Australia
    Phys Chem Chem Phys 18:8625-36. 2016
    ..Based on these results, we predict that the reaction of H + phenol and H + toluene should still favour the ortho isomer under elevated temperature conditions in the early stages of combustion (200-400 °C). ..
  4. doi request reprint Excitation spectra of the jet-cooled 4-phenylbenzyl and 4-(4'-methylphenyl)benzyl radicals
    Nahid Chalyavi
    School of Chemistry, The University of Sydney, NSW 2006, Australia
    J Phys Chem A 116:10780-5. 2012
    ..The spectra are discussed and compared to other biphenyl and benzyl chromophores...
  5. doi request reprint Resonance-Enhanced 2-Photon Ionization Scheme for C2 through a Newly Identified Band System: 4(3)Πg-a(3)Πu
    Olha Krechkivska
    School of Chemistry, UNSW, Sydney, NSW 2052, Australia
    J Phys Chem A 119:12102-8. 2015
    ..The new band system allows us to probe the a(3)Πu state of C2 through a straightforward 1 + 1 REMPI scheme. ..
  6. doi request reprint Synthesis and ultrafast excited-state dynamics of zinc and palladium triply fused diporphyrins
    Derrick A Roberts
    School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia
    J Phys Chem A 116:7898-905. 2012
    ..The implications for employing triply fused diporphyrins as NIR-absorbing triplet sensitizers are discussed. ..
  7. doi request reprint H and D Attachment to Naphthalene: Spectra and Thermochemistry of Cold Gas-Phase 1-C10H9 and 1-C10H8D Radicals and Cations
    Olha Krechkivska
    School of Chemistry, The University of New South Wales, Sydney, New South Wales 2052, Australia
    J Phys Chem A 119:3225-32. 2015
    ..Absolute bond dissociation energies, ionization energies and proton affinities were calculated using high-level quantum chemical methods. ..
  8. doi request reprint Hydroxyl addition to aromatic alkenes: resonance-stabilized radical intermediates
    Tyler P Troy
    School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia
    J Phys Chem A 116:7906-15. 2012
    ....
  9. doi request reprint Excitation spectra of large jet-cooled polycyclic aromatic hydrocarbon radicals: 9-anthracenylmethyl (C15H11) and 1-pyrenylmethyl (C17H11)
    Gerard D O'Connor
    School of Chemistry, The University of Sydney, NSW 2006, Australia
    J Phys Chem A 117:13899-907. 2013
    ..A refined fit including the title radicals provides estimated absorption energies for the larger 2-perylenylmethyl and 6-anthanthrenylmethyl species of 1.44 and 1.41 eV, respectively, with an estimated error of 30 meV...
  10. ncbi request reprint Spectroscopy of the free phenalenyl radical
    Gerard D O'Connor
    School of Chemistry, The University of Sydney, New South Wales 2006, Australia
    J Am Chem Soc 133:14554-7. 2011
    ..The coupling mechanism has been elucidated by the application of various ab initio quantum-chemical techniques...
  11. doi request reprint Ionization Energies of Three Resonance-Stabilized Radicals: Cyclohexadienyl (dn, n = 0, 1, 6, 7), 1-Phenylpropargyl, and Methylcyclohexadienyl
    Olha Krechkivska
    School of Chemistry, UNSW Sydney, Sydney, New South Wales 2052, Australia
    J Phys Chem A 118:10252-8. 2014
    ..affords a new estimate of the 0 K proton affinity of benzene: 739.7 ± 2.0 kJ/mol. The ionization energies are discussed in terms of the interplay between radical and cation stabilization energies. ..
  12. doi request reprint Tunable self-assembly of triazole-linked porphyrin-polymer conjugates
    Derrick A Roberts
    Key Centre for Polymers and Colloids, The University of Sydney, Sydney NSW 2006 Australia School of Chemistry, The University of Sydney, Sydney NSW 2006 Australia
    Chemistry 19:12759-70. 2013
    ..The modular synthesis and tunable self-assembly of the triazole-linked PPCs thus represents a powerful supramolecular platform for building functional nanostructured materials. ..
  13. doi request reprint The exciton dynamics in tetracene thin films
    Murad J Y Tayebjee
    School of Chemistry, The University of Sydney, New South Wales 2006, Australia
    Phys Chem Chem Phys 15:14797-805. 2013
    ..The effects of exciton density on both the picosecond and nanosecond luminescence dynamics are investigated, and a rate constant of (1.70 ± 0.08) × 10(-8) cm(3) s(-1) is determined for singlet-singlet annihilation. ..
  14. doi request reprint Spectroscopy and thermochemistry of a jet-cooled open-shell polyene: 1,4-pentadienyl radical
    Nahid Chalyavi
    School of Chemistry, The University of Sydney, NSW 2006, Australia
    J Chem Phys 135:124306. 2011
    ..High-level quantum chemical calculations of the radical stabilization energy, resulting in a value of nearly 120 kJ mol(-1), provide quantitative confirmation that this radical is highly stabilized...
  15. ncbi request reprint Entropically driven photochemical upconversion
    Yuen Yap Cheng
    School of Chemistry, The University of Sydney, Sydney, NSW, Australia
    J Phys Chem A 115:1047-53. 2011
    ..0 × 10(7) M(-1) s(-1). Despite being relatively inefficient, the upconverted fluorescence is easily visible to the naked eye with irradiation intensities as low as 2 W cm(-2)...
  16. doi request reprint Synthesis and luminescence properties of iridium(III) azide- and triazole-bisterpyridine complexes
    Daniel C Goldstein
    School of Chemistry, The University of New South Wales, NSW 2052, Australia
    Molecules 18:8959-75. 2013
    ....
  17. ncbi request reprint The 1(5)Π(g) state of C2
    Timothy W Schmidt
    School of Chemistry, The University of Sydney, Sydney, New South Wales 2006, Australia
    J Chem Phys 134:224311. 2011
    ..1% of experiment. Agreement with available spectroscopic data is excellent, with the calculations strongly suggesting that the 1(5)Π(g) vibrational level observed by Bornhauser et al. is v = 0...
  18. ncbi request reprint Spectroscopy of the A(1B2)-X(1A1) transition of jet-cooled fluorobenzene: laser-induced fluorescence, dispersed fluorescence, and pathological Fermi resonances
    Phillip Butler
    School of Chemistry, University of Sydney, Sydney, New South Wales 2006, Australia
    J Chem Phys 127:094303. 2007
    ..Ab initio and density functional theory calculations have also been performed to support the experimental assignments...