Associate Professor Meredith Jordan

BSc PhD Sydney
Associate Professor
Honours and Graduate Diploma Coordinator

F11 - Chemistry Building
The University of Sydney

Telephone 61 2 9351 4420
Fax 61 2 9351 3329

Website Research Group
Contact Details

Biographical details

  • BSc (Hons) Sydney 1990
  • PhD (Sydney) 1994
  • Postdoctoral Research Fellow Research School of Chemistry, ANU 1994-95
  • Research Fellow, Girton College, University of Cambridge, UK 1995-98
  • ARC Postdoctoral Research Fellow, University of Sydney 1998-2012
  • Associate Professor, University of Sydney 2013-

Research interests

  • Potential energy surfaces for chemical reactions
  • Quantum and classical dynamics in chemical systems
  • Bonding in loosely bound systems
  • The theoretical interpretation of photodetachment and photodissociation spectra

My research involves the development of quantum mechanical models for the behaviour of bound systems (theoretical spectroscopy) and unbound systems (reactive and inelastic scattering). In particular I am interested in identifying the active degrees of freedom in relatively large systems and modelling these using accurate and reliable reduced dimensional quantum models. Some of my current research projects include studies of hydrogen bonds in model biological systems, the calculation of photodetachment spectra and understanding the nature of collisional energy transfer.

I am also involved in the development of new theoretical methodology for use in quantum scattering calculations.

Teaching and supervision

  • Honours & Graduate Diploma Coordinator

Selected grants

2013

  • Chemistry at the threshold: Unusual mechanisms and unexpected products; Kable S, Jordan M, Osborn D; Australian Research Council (ARC)/Discovery Projects (DP).
  • Chemistry at the threshold: Unusual mechanisms and unexpected products; Kable S, Jordan M, Osborn D; Australian Research Council (ARC)/Discovery Projects (DP).

2012

  • Predicting the Enthalpy of Adsorbtion of Molecular Hydrogen; Jordan M; DVC Research/Bridging Support Grant.

2006

  • The first chemically accurate tools in theoretical materials research; Jordan M, Collins M, Gordon M; Australian Research Council (ARC)/Discovery Projects (DP).

2005

  • Predicting environmental effects on structure and reactivity; Jordan M; Australian Research Council (ARC)/Discovery Projects (DP).

2004

  • Biologically active zwitterions; Jordan M; DVC Research/Research and Development Scheme: Research and Development (R&D).

2001

  • Hydrogen Bonds: Types, Structures and IR and NMR Spectra; Jordan M, Del Bene J; Australian Research Council (ARC)/Large Research Grants (LRG).

2000

  • Quantum mechanical studies of chemical reactions; Jordan M, Groth H; Australian Research Council (ARC)/Australian Postdoctoral Fellowship.
  • Theoretical spectroscopy of the halogenated carbenes CFBr and CFCl; Jordan M; Australian Research Council (ARC)/Small Grants.
  • Vibrational anharmonicity and environmental effects in hydrogen-bonded complexes; Jordan M; Australian Research Council (ARC)/Small Grants.

Selected publications

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Book Chapters

  • Jordan, M., Crittenden, D., Thompson, K. (2007). Quantum effects in loosley bound complexes. In James B Anderson and Stuart M Rothstein (Eds.), Advances in Quantum Monte Carlo, (pp. 101-140). USA: American Chemical Society.

Journals

  • Morris, M., Jordan, M. (2014). Generating accurate dipole moment surfaces using modified Shepard interpolation. Journal of Chemical Physics, 140(20), 204107-1-204107-12. [More Information]
  • Lee, K., Quinn, M., Maccarone, A., Nauta, K., Houston, P., Reid, S., Jordan, M., Kable, S. (2014). Two roaming pathways in the photolysis of CH3CHO between 328 and 308 nm. Chemical Science, 5(12), 4633-4638. [More Information]
  • Andrews, D., Kable, S., Jordan, M. (2013). A phase space theory for roaming reactions. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 117(32), 7631-7642. [More Information]
  • Hobday, N., Quinn, M., Nauta, B., Andrews, D., Jordan, M., Kable, S. (2013). Experimental and theoretical investigation of triple fragmentation in the photodissociation dynamics of H(2)CO. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 117(46), 12091-12103. [More Information]
  • Morris, M., Jordan, M. (2013). Modeling molecular response in uniform and non-uniform electric fields. Journal of Chemical Physics, 138(5), 1-9. [More Information]
  • Kolmann, J., D'Arcy, J., Jordan, M. (2013). Quantum effects and anharmonicity in the H(2)-Li(+)-benzene complex: A model for hydrogen storage materials. Journal of Chemical Physics, 139(23), 1-10. [More Information]
  • Andrews, D., Heazlewood, B., Maccarone, A., Conroy, T., Payne, R., Jordan, M., Kable, S. (2012). Photo-tautomerization of acetaldehyde to vinyl alcohol: A potential route to tropospheric acids. Science, 337(6099), 1203-1206. [More Information]
  • Clubb, A., Jordan, M., Kable, S., Osborn, D. (2012). Phototautomerization of acetaldehyde to vinyl alcohol: A primary process in UV-irradiated acetaldehyde from 295 to 335 nm. Journal of Physical Chemistry Letters, 3(23), 3522-3526. [More Information]
  • de Wit, G., Heazlewood, B., Quinn, M., Maccarone, A., Nauta, B., Reid, S., Jordan, M., Kable, S. (2012). Product state and speed distributions in photochemical triple fragmentations. Faraday Discussions, 157(2012), 227-241. [More Information]
  • Jordan, M., Kable, S. (2012). Roaming reaction pathways along excited states. Science, 335(6072), 1054-1055. [More Information]
  • Yamamoto, I., Jordan, M., Gavande, N., Doddareddy, M., Collins, M., Hunter, L. (2012). The enantiomers of syn-2,3-difluoro-4-aminobutyric acid elicit opposite responses at the GABA(C) receptor. Chemical Communications, 48(6), 829-831. [More Information]
  • Heazlewood, B., Maccarone, A., Andrews, D., Osborn, D., Harding, L., Klippenstein, S., Jordan, M., Kable, S. (2011). Near-threshold H/D exchange in CD(3)CHO photodissociation. Nature Chemistry, 3(6), 443-448. [More Information]
  • Hunter, L., Jolliffe, K., Jordan, M., Jensen, P., Macquart, R. (2011). Synthesis and conformational analysis of alpha,beta-difluoro-gamma-amino acid derivatives. Chemistry: A European Journal, 17(8), 2340-2343. [More Information]
  • Kolmann, J., Jordan, M. (2010). Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: Application to SSSH. Journal of Chemical Physics, 132(5; Article number 054105), 054105-1-054105-10.
  • Banister, S., Moussa, I., Jordan, M., Coster, M., Kassiou, M. (2010). Oxo-bridged isomers of aza-trishomocubane sigma (o) receptor ligands: Synthesis, in vitro binding, and molecular modeling. Bioorganic and Medicinal Chemistry Letters: the tetrahedron journal for research at the interface of chemistry and biology, 20(1), 145-148. [More Information]
  • Jordan, M., Castro, J. (2009). Determination of particle size for colloidal dispersions: An APCELL experiment. The Australian Journal of Education in Chemistry, 69, 25-28.
  • Heazlewood, B., Rowling, S., Maccarone, A., Jordan, M., Kable, S. (2009). Photochemical formation of HCO and CH(3) on the ground S(0) ((1)A') state of CH(3)CHO. Journal of Chemical Physics, 130(5), 054310-1-054310-8.
  • Kolmann, J., Chan, B., Jordan, M. (2008). Modelling the interaction of molecular hydrogen with lithium-doped hydrogen storage materials. Chemical Physics Letters, 467, 126-130. [More Information]
  • Heazlewood, B., Jordan, M., Kable, S., Selby, T., Osborn, D., Shepler, B., Braams, B., Bowman, J. (2008). Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation. Proceedings of the National Academy of Sciences (PNAS) of the United States of America, 105(35), 12719-12724.
  • Thompson, K., Crittenden, D., Kable, S., Jordan, M. (2006). A classical trajectory study of the photodissociation of T-1 acetaldehyde: The transition from impulsive to statistical dynamics. Journal of Chemical Physics, 124(4), 044302-1-044302-15.
  • Crittenden, D., Park, A., Qiu, J., Silverman, R., Duke, R., Johnston, G., Jordan, M., Collins, M. (2006). Enantiomers of cis-constrained and flexible 2-substituted GABA analogues exert opposite effects at recombinant GABA(C) receptors. Bioorganic and Medicinal Chemistry, 14(2), 447-455. [More Information]
  • Crittenden, D., Collins, M., Jordan, M. (2005). A quantitative structure-activity relationship investigation into agonist binding at GABA C receptors. Computational and Theoretical Chemistry, 755, 81-89.
  • Thompson, K., Crittenden, D., Jordan, M. (2005). CH5+: Chemistry's chameleon unmasked. Journal of the American Chemical Society, 127(13), 4954-4958.
  • Crittenden, D., Jordan, M. (2005). Interpolated potential energy surfaces: How accurate do the second derivatives have to be? Journal of Chemical Physics, 122(4), 044102-1-044102-6.
  • Crittenden, D., Thompson, K., Jordan, M. (2005). On the extent of intramolecular hydrogen bonding in gas-phase and hydrated 1,2-ethanediol. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109(12), 2971-2977.
  • Crittenden, D., Collins, M., Jordan, M. (2005). Stabilization of zwitterions in solution: GABA analogues. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109(18), 4195-4201. [More Information]
  • Crittenden, D., Kumar, R., Hanrahan, J., Collins, M., Jordan, M. (2005). Stabilization of zwitterions in solution: Phosphinic and phosphonic acid GABA analogues. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109(37), 8398-8409. [More Information]
  • Crittenden, D., Collins, M., Jordan, M. (2004). Stabilization of Zwitterions in Solution: γ-Aminobutyric Acid (GABA). The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 108(1), 203-211.
  • Jordan, M., Thompson, K. (2003). The response of a molecule to an external electric field: predicting structural and spectroscopi change. Chemical Physics Letters, 370(1-2), 14-20.
  • Jordan, M., Del Bene, J. (2002). To What Extent Do External Fields and Vibrational and Isotopic Effects Influence NMR Coupling Constants Across Hydrogen Bonds? Two-Bond Cl-N Spin-Spin Coupling Constants (2hJCl-N) in Model ClH:NH3 Complexes. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 106(21), 5385-5392.
  • Bevitt, J., Chapman, K., Crittenden, D., Jordan, M., Del, B. (2001). An ab initio study of anharmonicity and field effects in hydrogen-bonded complexes of the deuterated analogues of HCl and HBr with NH3 and N(CH3)3. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 105(13), 3371-3378.
  • Toh, J., Jordan, M., Husowitz, B., Del, B. (2001). Can proton-shared or ion-pair N-H-N hydrogen bonds be produced in uncharged complexes? A systematic ab initio study of the structures and selected NMR and IR properties of complexes with N-H-N hydrogen bonds. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 105, 10906-10914.
  • Chapman, K., Crittenden, D., Bevitt, J., Jordan, M., Del, B. (2001). Relating environmental effects and structures, IR, and NMR properties of hydrogen-bonded complexes: CIH:Pyridine. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 105, 5442-5449.
  • Jordan, M., Toh, J., Del, B. (2001). Vibrational averaging of NMR properties for an N-H-N hydrogen bond. Chemical Physics Letters, 346(3-4), 288-292.
  • Del, B., Jordan, M., Perera, S., Bartlett, R. (2001). Vibrational effects on the F-F spin-spin coupling constant (2hJF-F) in FHF- and FDF-. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 105(37), 8399-8402.
  • Jordan, M., Del, B. (2001). What a difference a decade makes: Progress in ab initio studies of the hydrogen bond. Computational and Theoretical Chemistry, 573, 11-23.

Conferences

  • Kolmann, J., Jordan, M. (2009). Interpolated potential energy surfaces. XXII Dynamics of Molecular Collisions Meeting.
  • Kable, S., Heazlewood, B., Maccarone, A., Jordan, M. (2009). Isotopic exchange mechanisms implicated in the photodissociation dynamics of acetaldehyde-d3. 30th International Symposium on Free Radicals, N/A: N/A.
  • Kable, S., Heazlewood, B., Maccarone, A., Jordan, M. (2009). Photodissociation dynamics of acetaldehyde-d3: It's the little things that count. International Conference on Advanced Vibrational Spectroscopy, N/A: N/A.
  • Kable, S., Heazlewood, B., Maccarone, A., Jordan, M. (2009). Photodissociation dynamics of aldehydes. Gordon Research Conference, N/A: N/A.

2014

  • Morris, M., Jordan, M. (2014). Generating accurate dipole moment surfaces using modified Shepard interpolation. Journal of Chemical Physics, 140(20), 204107-1-204107-12. [More Information]
  • Lee, K., Quinn, M., Maccarone, A., Nauta, K., Houston, P., Reid, S., Jordan, M., Kable, S. (2014). Two roaming pathways in the photolysis of CH3CHO between 328 and 308 nm. Chemical Science, 5(12), 4633-4638. [More Information]

2013

  • Andrews, D., Kable, S., Jordan, M. (2013). A phase space theory for roaming reactions. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 117(32), 7631-7642. [More Information]
  • Hobday, N., Quinn, M., Nauta, B., Andrews, D., Jordan, M., Kable, S. (2013). Experimental and theoretical investigation of triple fragmentation in the photodissociation dynamics of H(2)CO. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 117(46), 12091-12103. [More Information]
  • Morris, M., Jordan, M. (2013). Modeling molecular response in uniform and non-uniform electric fields. Journal of Chemical Physics, 138(5), 1-9. [More Information]
  • Kolmann, J., D'Arcy, J., Jordan, M. (2013). Quantum effects and anharmonicity in the H(2)-Li(+)-benzene complex: A model for hydrogen storage materials. Journal of Chemical Physics, 139(23), 1-10. [More Information]

2012

  • Andrews, D., Heazlewood, B., Maccarone, A., Conroy, T., Payne, R., Jordan, M., Kable, S. (2012). Photo-tautomerization of acetaldehyde to vinyl alcohol: A potential route to tropospheric acids. Science, 337(6099), 1203-1206. [More Information]
  • Clubb, A., Jordan, M., Kable, S., Osborn, D. (2012). Phototautomerization of acetaldehyde to vinyl alcohol: A primary process in UV-irradiated acetaldehyde from 295 to 335 nm. Journal of Physical Chemistry Letters, 3(23), 3522-3526. [More Information]
  • de Wit, G., Heazlewood, B., Quinn, M., Maccarone, A., Nauta, B., Reid, S., Jordan, M., Kable, S. (2012). Product state and speed distributions in photochemical triple fragmentations. Faraday Discussions, 157(2012), 227-241. [More Information]
  • Jordan, M., Kable, S. (2012). Roaming reaction pathways along excited states. Science, 335(6072), 1054-1055. [More Information]
  • Yamamoto, I., Jordan, M., Gavande, N., Doddareddy, M., Collins, M., Hunter, L. (2012). The enantiomers of syn-2,3-difluoro-4-aminobutyric acid elicit opposite responses at the GABA(C) receptor. Chemical Communications, 48(6), 829-831. [More Information]

2011

  • Heazlewood, B., Maccarone, A., Andrews, D., Osborn, D., Harding, L., Klippenstein, S., Jordan, M., Kable, S. (2011). Near-threshold H/D exchange in CD(3)CHO photodissociation. Nature Chemistry, 3(6), 443-448. [More Information]
  • Hunter, L., Jolliffe, K., Jordan, M., Jensen, P., Macquart, R. (2011). Synthesis and conformational analysis of alpha,beta-difluoro-gamma-amino acid derivatives. Chemistry: A European Journal, 17(8), 2340-2343. [More Information]

2010

  • Kolmann, J., Jordan, M. (2010). Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: Application to SSSH. Journal of Chemical Physics, 132(5; Article number 054105), 054105-1-054105-10.
  • Banister, S., Moussa, I., Jordan, M., Coster, M., Kassiou, M. (2010). Oxo-bridged isomers of aza-trishomocubane sigma (o) receptor ligands: Synthesis, in vitro binding, and molecular modeling. Bioorganic and Medicinal Chemistry Letters: the tetrahedron journal for research at the interface of chemistry and biology, 20(1), 145-148. [More Information]

2009

  • Jordan, M., Castro, J. (2009). Determination of particle size for colloidal dispersions: An APCELL experiment. The Australian Journal of Education in Chemistry, 69, 25-28.
  • Kolmann, J., Jordan, M. (2009). Interpolated potential energy surfaces. XXII Dynamics of Molecular Collisions Meeting.
  • Kable, S., Heazlewood, B., Maccarone, A., Jordan, M. (2009). Isotopic exchange mechanisms implicated in the photodissociation dynamics of acetaldehyde-d3. 30th International Symposium on Free Radicals, N/A: N/A.
  • Heazlewood, B., Rowling, S., Maccarone, A., Jordan, M., Kable, S. (2009). Photochemical formation of HCO and CH(3) on the ground S(0) ((1)A') state of CH(3)CHO. Journal of Chemical Physics, 130(5), 054310-1-054310-8.
  • Kable, S., Heazlewood, B., Maccarone, A., Jordan, M. (2009). Photodissociation dynamics of acetaldehyde-d3: It's the little things that count. International Conference on Advanced Vibrational Spectroscopy, N/A: N/A.
  • Kable, S., Heazlewood, B., Maccarone, A., Jordan, M. (2009). Photodissociation dynamics of aldehydes. Gordon Research Conference, N/A: N/A.

2008

  • Kolmann, J., Chan, B., Jordan, M. (2008). Modelling the interaction of molecular hydrogen with lithium-doped hydrogen storage materials. Chemical Physics Letters, 467, 126-130. [More Information]
  • Heazlewood, B., Jordan, M., Kable, S., Selby, T., Osborn, D., Shepler, B., Braams, B., Bowman, J. (2008). Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation. Proceedings of the National Academy of Sciences (PNAS) of the United States of America, 105(35), 12719-12724.

2007

  • Jordan, M., Crittenden, D., Thompson, K. (2007). Quantum effects in loosley bound complexes. In James B Anderson and Stuart M Rothstein (Eds.), Advances in Quantum Monte Carlo, (pp. 101-140). USA: American Chemical Society.

2006

  • Thompson, K., Crittenden, D., Kable, S., Jordan, M. (2006). A classical trajectory study of the photodissociation of T-1 acetaldehyde: The transition from impulsive to statistical dynamics. Journal of Chemical Physics, 124(4), 044302-1-044302-15.
  • Crittenden, D., Park, A., Qiu, J., Silverman, R., Duke, R., Johnston, G., Jordan, M., Collins, M. (2006). Enantiomers of cis-constrained and flexible 2-substituted GABA analogues exert opposite effects at recombinant GABA(C) receptors. Bioorganic and Medicinal Chemistry, 14(2), 447-455. [More Information]

2005

  • Crittenden, D., Collins, M., Jordan, M. (2005). A quantitative structure-activity relationship investigation into agonist binding at GABA C receptors. Computational and Theoretical Chemistry, 755, 81-89.
  • Thompson, K., Crittenden, D., Jordan, M. (2005). CH5+: Chemistry's chameleon unmasked. Journal of the American Chemical Society, 127(13), 4954-4958.
  • Crittenden, D., Jordan, M. (2005). Interpolated potential energy surfaces: How accurate do the second derivatives have to be? Journal of Chemical Physics, 122(4), 044102-1-044102-6.
  • Crittenden, D., Thompson, K., Jordan, M. (2005). On the extent of intramolecular hydrogen bonding in gas-phase and hydrated 1,2-ethanediol. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109(12), 2971-2977.
  • Crittenden, D., Collins, M., Jordan, M. (2005). Stabilization of zwitterions in solution: GABA analogues. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109(18), 4195-4201. [More Information]
  • Crittenden, D., Kumar, R., Hanrahan, J., Collins, M., Jordan, M. (2005). Stabilization of zwitterions in solution: Phosphinic and phosphonic acid GABA analogues. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109(37), 8398-8409. [More Information]

2004

  • Crittenden, D., Collins, M., Jordan, M. (2004). Stabilization of Zwitterions in Solution: γ-Aminobutyric Acid (GABA). The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 108(1), 203-211.

2003

  • Jordan, M., Thompson, K. (2003). The response of a molecule to an external electric field: predicting structural and spectroscopi change. Chemical Physics Letters, 370(1-2), 14-20.

2002

  • Jordan, M., Del Bene, J. (2002). To What Extent Do External Fields and Vibrational and Isotopic Effects Influence NMR Coupling Constants Across Hydrogen Bonds? Two-Bond Cl-N Spin-Spin Coupling Constants (2hJCl-N) in Model ClH:NH3 Complexes. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 106(21), 5385-5392.

2001

  • Bevitt, J., Chapman, K., Crittenden, D., Jordan, M., Del, B. (2001). An ab initio study of anharmonicity and field effects in hydrogen-bonded complexes of the deuterated analogues of HCl and HBr with NH3 and N(CH3)3. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 105(13), 3371-3378.
  • Toh, J., Jordan, M., Husowitz, B., Del, B. (2001). Can proton-shared or ion-pair N-H-N hydrogen bonds be produced in uncharged complexes? A systematic ab initio study of the structures and selected NMR and IR properties of complexes with N-H-N hydrogen bonds. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 105, 10906-10914.
  • Chapman, K., Crittenden, D., Bevitt, J., Jordan, M., Del, B. (2001). Relating environmental effects and structures, IR, and NMR properties of hydrogen-bonded complexes: CIH:Pyridine. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 105, 5442-5449.
  • Jordan, M., Toh, J., Del, B. (2001). Vibrational averaging of NMR properties for an N-H-N hydrogen bond. Chemical Physics Letters, 346(3-4), 288-292.
  • Del, B., Jordan, M., Perera, S., Bartlett, R. (2001). Vibrational effects on the F-F spin-spin coupling constant (2hJF-F) in FHF- and FDF-. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 105(37), 8399-8402.
  • Jordan, M., Del, B. (2001). What a difference a decade makes: Progress in ab initio studies of the hydrogen bond. Computational and Theoretical Chemistry, 573, 11-23.

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