The University of Western Australia
Asst/Prof Duncan Wild
Assistant Professor
Contact details
| Address | Chemistry The University of Western Australia (M313) 35 Stirling Highway CRAWLEY WA 6009 Australia |
|---|---|
| Phone | 6488 3178 |
| Fax | 6488 1005 |
| duncan.wild@uwa.edu.au |
Location
Room 318, Molecular and Chemical Sciences Building, Crawley campus
Biography
Dr Duncan Wild completed a Bachelor of Science with Honours at the University of Melbourne, where he also undertook a PhD researching infrared spectroscopy of size-selected anion complexes and clusters. In 2003 he received an Alexander Von Humbolt Fellowship to undertake research at the Max Planck Institute for Biophysical Chemistry in Göttingen Germany. During this time he investigated the timescales for energy relaxation of carotenoids, spectroscopy of neutral stilbene-alkane gas phase complexes, and assisted in the construction of a photoelectron spectrometer. Dr Wild came to The University of Western Australia in 2007.
Key research
- The research interests of the group are in the area of Physical Chemistry, however more specifically Laser Spectroscopy (both fundamental and applied spectroscopy). At the moment we are constructing a spectrometer for recording photoelectron spectra of gas phase ionic complexes and clusters. The machine is a Time Of Flight mass spectrometer coupled to a PhotoElectron Spectrometer (or TOF-PES for short). Our group is also interested in supplementing the experimental results with theoretical calculations (ab initio).
Major research interests
- Ab initio calculations
- Gas phase clusters and particles
- Laser spectroscopy
- Physical chemistry
Qualifications
BSc PhD Melb.
Publications
2004
R.L. Wilson, Z.M. Loh, D.A. Wild, and E.J. Bieske, Isomeric interconversion in the linear Cl- HD anion complex , J. Chem. Phys., 121(5), 2085-2093 (2004)
D.A. Wild, R.L. Wilson, Z.M. Loh, and E.J. Bieske, The infrared spectrum of the F--H2 anion complex, Chem. Phys. Lett., 393(4-6), 517-520 (2004)
D.A. Wild and T. Lenzer, Ab initio study of the fluoride-ammonia clusters: F--(NH3)n, n=1-3 Phys. Chem. Chem. Phys., 6(22), 5122-5132 (2004)
Z.M. Loh, R.L. Wilson, D.A. Wild, E.J. Bieske, and M.S. Gordon, Structures of F--(CH4)n and Cl--(CH4)n (n=1-2) anion clusters elucidated through ab initio calculations and infrared spectra Aus. J. Chem., 57(12), 1157-1160 (2004)
D.A. Wild and E.J. Bieske, Infrared spectrum of the I--D2 anion complex J. Chem. Phys., 121(24), 12276-12281 (2004)
2005
R.L. Wilson, Z.M. Loh, D.A. Wild, C.D. Thompson, M.D. Schuder, J.M. Lisy, and E.J. Bieske, Infrared spectra of the Cl--C2H4 and Br-C2H4 anion dimers, Phys. Chem. Chem. Phys., 7 (19), 3419-3425, (2005)
Z.M. Loh, R.L. Wilson, D.A. Wild, E.J. Bieske, and M.S. Gordon, Infrared Spectra and ab initio calculations for the Cl--(CH4)n (n=1-10) anion clusters J. Phys. Chem. A, 109 (38), 8451-8458, (2005)
D.A. Wild and T. Lenzer, Structures and infrared spectra of fluoride-hydrogen sulphide clusters from ab initio calculations; F (H2S)n, n=1-5 Phys. Chem. Chem. Phys., 7(22), 3793-3804, (2005)
2006
D.A.Wild, K. Winkler, S. Stalke, K. Oum, and T.Lenzer, Extremely strong solvent dependence of the S1S0 internal conversion lifetime of 12´ Apo β Caroten 12´ al ,Phys. Chem. Chem. Phys., 8(21), 2499-2505, (2006)
Z.M. Loh, R.L. Wilson, D.A. Wild, E.J. Bieske, J.M. Lisy, B. Njegic, M.S. Gordon, Infrared spectra and ab initio calculations for the F--(CH-)- (n=1-8) anion clusters, J. Phys. Chem. A, 110(51), 13736-13743, (2006)
2007
F. Ehlers, D.A. Wild, T. Lenzer, and K. Oum, Investigation of the S1/ICT → S0 Internal Conversion Lifetime of 4'-apo-β-caroten-4'-al and 8'-apo-β-caroten-8'-al: Dependence on Conjugation Length and Solvent Polarity, J. Phys. Chem. A., 111(12), 2257 2265, (2007)
D.A. Wild and T. Lenzer, Structures, energetics, and infrared spectra of the Cl--(H2S)n and Br--(H2S)n anion clusters from ab initio calculations Phys. Chem. Chem. Phys., 9(43), 5776 5784, (2007)
R.L. Wilson, Z.M. Loh, D.A. Wild, and E.J. Bieske, Isomeric interconversion in the linear Cl- HD anion complex , J. Chem. Phys., 121(5), 2085-2093 (2004)
D.A. Wild, R.L. Wilson, Z.M. Loh, and E.J. Bieske, The infrared spectrum of the F--H2 anion complex, Chem. Phys. Lett., 393(4-6), 517-520 (2004)
D.A. Wild and T. Lenzer, Ab initio study of the fluoride-ammonia clusters: F--(NH3)n, n=1-3 Phys. Chem. Chem. Phys., 6(22), 5122-5132 (2004)
Z.M. Loh, R.L. Wilson, D.A. Wild, E.J. Bieske, and M.S. Gordon, Structures of F--(CH4)n and Cl--(CH4)n (n=1-2) anion clusters elucidated through ab initio calculations and infrared spectra Aus. J. Chem., 57(12), 1157-1160 (2004)
D.A. Wild and E.J. Bieske, Infrared spectrum of the I--D2 anion complex J. Chem. Phys., 121(24), 12276-12281 (2004)
2005
R.L. Wilson, Z.M. Loh, D.A. Wild, C.D. Thompson, M.D. Schuder, J.M. Lisy, and E.J. Bieske, Infrared spectra of the Cl--C2H4 and Br-C2H4 anion dimers, Phys. Chem. Chem. Phys., 7 (19), 3419-3425, (2005)
Z.M. Loh, R.L. Wilson, D.A. Wild, E.J. Bieske, and M.S. Gordon, Infrared Spectra and ab initio calculations for the Cl--(CH4)n (n=1-10) anion clusters J. Phys. Chem. A, 109 (38), 8451-8458, (2005)
D.A. Wild and T. Lenzer, Structures and infrared spectra of fluoride-hydrogen sulphide clusters from ab initio calculations; F (H2S)n, n=1-5 Phys. Chem. Chem. Phys., 7(22), 3793-3804, (2005)
2006
D.A.Wild, K. Winkler, S. Stalke, K. Oum, and T.Lenzer, Extremely strong solvent dependence of the S1S0 internal conversion lifetime of 12´ Apo β Caroten 12´ al ,Phys. Chem. Chem. Phys., 8(21), 2499-2505, (2006)
Z.M. Loh, R.L. Wilson, D.A. Wild, E.J. Bieske, J.M. Lisy, B. Njegic, M.S. Gordon, Infrared spectra and ab initio calculations for the F--(CH-)- (n=1-8) anion clusters, J. Phys. Chem. A, 110(51), 13736-13743, (2006)
2007
F. Ehlers, D.A. Wild, T. Lenzer, and K. Oum, Investigation of the S1/ICT → S0 Internal Conversion Lifetime of 4'-apo-β-caroten-4'-al and 8'-apo-β-caroten-8'-al: Dependence on Conjugation Length and Solvent Polarity, J. Phys. Chem. A., 111(12), 2257 2265, (2007)
D.A. Wild and T. Lenzer, Structures, energetics, and infrared spectra of the Cl--(H2S)n and Br--(H2S)n anion clusters from ab initio calculations Phys. Chem. Chem. Phys., 9(43), 5776 5784, (2007)
Memberships
Royal Australian Chemical Institute (CChem)
Honours and awards
Chancellors Prize for Excellence in PhD Research
Teaching
IDNT1126 Basic Science for Dentistry (Unit Co-ordinator)
CHEM2220 Analytical and Physical Chemistry (Unit Co-ordinator)
CHEM3304 Analytical and Physical Chemistry (Unit Co-ordinator)
CHEM2210 Structure Determination and Physical Chemistry (PSB)
CHEM2220 Analytical and Physical Chemistry (Unit Co-ordinator)
CHEM3304 Analytical and Physical Chemistry (Unit Co-ordinator)
CHEM2210 Structure Determination and Physical Chemistry (PSB)
Current projects
Ion complex and cluster photoelectron spectroscopy
From a fundamental viewpoint, our research is aimed at characterising ionic clusters to attain an enhanced understanding of intermolecular interactions and to provide intimate details on the transition states of chemical reactions. The experimental targets we will investigate are of the form X- …HnA, where X is a halide anion (F- , Cl- , Br- , or I- ) and HnA is a neutral molecule with “n” terminal hydrogens able to bond to the halide anion (for example H2S, PH3, NH3).
Size selected nano-particle spectroscopy
A more applied planned direction within the group is towards using gas phase photoelectron spectroscopy to better characterise nano-particles that have been fabricated using conventional techniques. This will be realised through constructing specialised ion sources to allow one to introduce the preformed nano-particles into the gas phase. In these experiments, trends in the properties of the nano-particles can be followed in a controlled size dependent fashion.
ab initio calculations
This work is aimed at firstly predicting, and later on understanding, the results of the fundamental spectroscopic experiments. We aim to predict gas phase cluster structures, energetics, and transition intensities. Work is currently underway to produce multi dimensional potential energy surfaces to better characterise the ionic clusters we will attack with the TOF PES apparatus. As a part of this work we will also characterise the analogous neutral complexes allowing us to simulate the spectrum we will record.
TOF-PES
The Time Of Flight mass spectrometer coupled to a PhotoElectron Spectrometer (TOF-PES) is the piece of apparatus currently being constructed within the School of Biomedical, Biomolecular and Chemical Sciences at UWA. It will be the only operational spectrometer of its type in Australia! The machine will enable us to characterise small complexes and clusters in the gas phase. Using mass spectrometry we are able to select individual species out of the ensemble that we produce. The first component of the machine is the ion source, for creating gas phase ionic complexes and clusters. The extraction chamber is the essential component of the TOF mass spectrometer and accelerates the ionic species originating from the ion source. The ions separate as they travel along the spectrometer due to their different masses and hence velocities. The Einzel lenses serve to re focus the ion beam as it travels through the spectrometer. A mass spectrum is produced by detecting the ions at the end of the apparatus (Ion detection chamber). Before this, the ions travel through the laser interaction chamber, and this is where the action happens. The ion of interest is overlapped with a pulse of laser radiation that leads to the ejection of electrons into the photoelectron spectrometer (long tube hanging off the side).
Magnetic Bottle Photoelectron Spectrometer
The photoelectron spectrometer is a magnetic bottle type spectrometer, based on the design of Smalley and co-workers [Rev. Sci. Instrum. 58(11), 2131, (1987)]. The schematic shown to the left shows the main components. There is a strong electromagnet situated to the right. The photoelectron flight tube (left) has a homogeneous magnetic field applied to it via a solenoid, or coil of copper wire wrapped around the flight tube along the whole length. The two magnetic fields couple together, and the resulting field lines resemble the spout of a bottle, hence the name “magnetic bottle” spectrometer. The ions fly into this field and are intercepted with a pulse of laser radiation (the cross shown near the spout of the bottle). The interaction between the laser and the ions leads to the ejection of electrons that are funnelled into the flight tube. The time of flight of these electrons is recorded, and related back to their kinetic energy which in turn is related to their molecular origin. The flight tube, electromagnet, and other goodies were generously lent to us by Professor Mark Buntine of Adelaide University, and we are forever in his debt!
From a fundamental viewpoint, our research is aimed at characterising ionic clusters to attain an enhanced understanding of intermolecular interactions and to provide intimate details on the transition states of chemical reactions. The experimental targets we will investigate are of the form X- …HnA, where X is a halide anion (F- , Cl- , Br- , or I- ) and HnA is a neutral molecule with “n” terminal hydrogens able to bond to the halide anion (for example H2S, PH3, NH3).
Size selected nano-particle spectroscopy
A more applied planned direction within the group is towards using gas phase photoelectron spectroscopy to better characterise nano-particles that have been fabricated using conventional techniques. This will be realised through constructing specialised ion sources to allow one to introduce the preformed nano-particles into the gas phase. In these experiments, trends in the properties of the nano-particles can be followed in a controlled size dependent fashion.
ab initio calculations
This work is aimed at firstly predicting, and later on understanding, the results of the fundamental spectroscopic experiments. We aim to predict gas phase cluster structures, energetics, and transition intensities. Work is currently underway to produce multi dimensional potential energy surfaces to better characterise the ionic clusters we will attack with the TOF PES apparatus. As a part of this work we will also characterise the analogous neutral complexes allowing us to simulate the spectrum we will record.
TOF-PES
The Time Of Flight mass spectrometer coupled to a PhotoElectron Spectrometer (TOF-PES) is the piece of apparatus currently being constructed within the School of Biomedical, Biomolecular and Chemical Sciences at UWA. It will be the only operational spectrometer of its type in Australia! The machine will enable us to characterise small complexes and clusters in the gas phase. Using mass spectrometry we are able to select individual species out of the ensemble that we produce. The first component of the machine is the ion source, for creating gas phase ionic complexes and clusters. The extraction chamber is the essential component of the TOF mass spectrometer and accelerates the ionic species originating from the ion source. The ions separate as they travel along the spectrometer due to their different masses and hence velocities. The Einzel lenses serve to re focus the ion beam as it travels through the spectrometer. A mass spectrum is produced by detecting the ions at the end of the apparatus (Ion detection chamber). Before this, the ions travel through the laser interaction chamber, and this is where the action happens. The ion of interest is overlapped with a pulse of laser radiation that leads to the ejection of electrons into the photoelectron spectrometer (long tube hanging off the side).
Magnetic Bottle Photoelectron Spectrometer
The photoelectron spectrometer is a magnetic bottle type spectrometer, based on the design of Smalley and co-workers [Rev. Sci. Instrum. 58(11), 2131, (1987)]. The schematic shown to the left shows the main components. There is a strong electromagnet situated to the right. The photoelectron flight tube (left) has a homogeneous magnetic field applied to it via a solenoid, or coil of copper wire wrapped around the flight tube along the whole length. The two magnetic fields couple together, and the resulting field lines resemble the spout of a bottle, hence the name “magnetic bottle” spectrometer. The ions fly into this field and are intercepted with a pulse of laser radiation (the cross shown near the spout of the bottle). The interaction between the laser and the ions leads to the ejection of electrons that are funnelled into the flight tube. The time of flight of these electrons is recorded, and related back to their kinetic energy which in turn is related to their molecular origin. The flight tube, electromagnet, and other goodies were generously lent to us by Professor Mark Buntine of Adelaide University, and we are forever in his debt!
Research profile
