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Abstract Book ! ! ! ! ! ! "#$ %& '! $ ( )!#*)+!(,)+-$ ' ./0,'(1/$,)$ ! 2 st *##$ 31 International Symposium $ * +3(4+-' on Free Radicals $ 5 $ 0 ,*!$ 3 ,16 -+' 7 $ + 1'!*+-(+$ 8 $ 9:&& $ Port Douglas - Australia 2011 ! ! 31st International Symposium on Free Radicals 24-29 July 2011, Port Douglas, Australia www.freerads.com.au Local Advisory Committee International Advisory Committee E.J. Bieske Chair (Melbourne) T.A. Miller Chair (Columbus) S.H. Kable Chair (Sydney) R. Continetti Secretary (San Diego) A. Trevitt (Wollongong) A. Carrington (Southampton)* T. Schmidt (Sydney) L. Halonen (Helsinki) U. Wille (Melbourne) S. Leach (Paris)* G. Metha (Adelaide) F. S. Rowland (Irvine) J. Parker (US Army Research Office) P. Casavecchia (Perugia) E. Hirota (Yokohama) Local Organising Committee Y. P. Lee (Taipei) T. C. Steimle (Tempe) Samuel Pinches R. Colin (Brussels) Fran Dynan W. E. Jones (Halifax) Liz Mills J. P. Maier (Basel) A. J. Merer (Taipei) I. Tanaka (Tokyo) R. F. Curl (Houston) M. Larsson (Stockholm) J. J. ter Meulen (Nijmegen) B. A. Thrush (Cambridge) * Chair Emeritus Cover: Barbara Rich, 2006 http://flic.kr/p/9bJKH 1 Table of Contents 31st International Symposium on Free Radicals 1! Welcome 3! Mission 4! History 5! Sponsors 6! General Information 7! Excursion 8! Banquet 9! Abstracts 10! Participants’ Contact Details 107! 2 Free Radicals Down Under We welcome delegates to Port Douglas for the 31st International Symposium on Free Radicals. This is the first time that the Free Radicals meeting has been held in the Southern Hemisphere - in the traditional Australian coin toss wagering game of two-up, this represents an unlikely 30 northern heads followed by a lone kangaroo tail. The pay- off for us is the pleasure of hosting more than 100 scientific colleagues and their partners and children in our part of the world. We hope that the meeting’s scientific activities are complemented by contact with the natural splendours of northern Australia, and also with the local people who generally have few pretensions and make few judgments. We are not the first visitors to these shores. Aboriginal people from the Kuku Yalariji tribe have long occupied the Port Douglas region and today live in local communities and in the wider population. Reward yourself by finding out more about their culture and history. In 1770, not far north of Port Douglas, James Cook’s ship the Endeavour struck a reef and was holed. The breach was covered by securing a piece of sail cloth, primed with wool and goat dung, allowing the ship to make its way to the Endeavour River where it was repaired. While passing Port Douglas, Cook sighted and named the Low Isles, our destination for the boat trip on Wednesday. Contributions to this symposium address areas of immediate social concern such as atmospheric chemistry and combustion, as well as topics of more fundamental importance including astrochemistry, unimolecular and bimolecular processes, and the behaviour of ultracold molecules. We have intentionally arranged the program such that there are only vague thematic linkages between the talks in any one session. By doing so we hope that the participants will enjoy material with which they are familiar and will also discover new and exciting scientific areas. We live in an era of citation churn in which scientists and academics are rewarded through grants and promotions by maximising their output of minimum publishable units (MPUs - formerly known as research articles). It is heartening that, contrary to this trend, substantial, first-rate scientific research continues in the realm of free radicals and that the timeless scientific issues that occupied those that attended the first Free Radicals meetings continue to fascinate us today. Finally, some advice on cultural orientation. It is useful when first engaging with an unfamiliar culture to have at your command a few words or phrases from the local language (lingo). Australia is a land in which one wins respect through the insult of others and oneself. It is also a land of economy and nowadays there is really only one word that a visitor from abroad really needs to know. That word is “bogan” and describes a person of low, vulgar taste and narrow genetic provenance. Probably best to explore its usage with your Australian Free Rads colleagues before deploying it in conversations with the general public. Enjoy the meeting! Evan Bieske and Scott Kable 3 Mission of the International Symposium on Free Radicals Terry Miller The International Free Radicals Symposium Committee is a non-profit organization authorizing and promoting the holding of scientific and educational meetings on a biannual basis on the subject of free radicals, which are important intermediates in complex chemical reactions Free radicals play a vital role as intermediates in many chemical reactions including those involved in combustion and chemical synthesis, as well as ones in the atmosphere and in interstellar space. The International Free Radicals Symposium was established nearly fifty years ago to bring together workers at the frontier of research in a wide variety of areas of free radical chemistry with particular emphasis on the spectroscopic identification, characterization and dynamics of radicals. The composition of the International Committee below, guarantees the high scientific level of these meetings. While the theme of present meetings remain the same as for the first Free Radicals Symposium, the experimental and theoretical approaches, as well as the applications, have advanced tremendously. Whereas at that time, the presence or importance of free radicals in a particular process was typically only inferred or hypothesized, today using modern spectroscopic means of detection their presence cannot only be proven but the radicals themselves characterized in great detail. Indeed what once was seen as "through a glass darkly," has now been illuminated brightly by lasers and other means of detection. The study of radicals, and their radiative and dynamical properties has shed light on a vast variety of physical and chemical processes. These processes span an environment from inside every living being, through the fires of combustion, to our atmosphere, and beyond to the observable limits of interstellar space. Indeed some free radicals have been observed for the first time in interstellar space before they could be produced in the laboratory. Therefore the Free Radicals Symposia are strongly interdisciplinary with chemists, physicists, astrophysicists and environmental scientists participating, resulting in a conference unique in its creative interaction between diverse disciplines in both their theoretical and experimental aspects. Topics appropriate for coverage at a Free Radicals meeting include: • Spectroscopy of radicals • Structure of free radicals • Free radicals and atmospheric chemistry • Free radicals as reaction intermediates • Production and observation techniques • Dynamics and reaction kinetics, theory and experiment • Molecular ions and molecules in excited states • Interstellar spectroscopy and chemistry • Free radicals in applied research 4 History of the International Symposium on Free Radicals This international meeting dates back to 1956, when it was first held in Quebec City, Canada. The meeting was organized in response to the exciting developments in spectroscopic studies of free radical intermediates in the gas-phase and under matrix- isolation conditions occurring at that time. Free radicals and other reactive species remain topics of great interest today owing to the central role they play as reactive intermediates in chemical phenomena. The field has expanded to increasingly focus on the dynamics of radical reactions in addition to spectroscopy and kinetics. However, as we seek to understand complex environments in combustion, atmospheric chemistry, condensed phase phenomena and the interstellar medium in great detail, all of these techniques continue to play critical roles. An interesting discussion of the development of this symposium series can be found in the short article by Don Ramsey in International Reviews in Physical Chemistry 18, 1 (1999). Year Location Symposium Chair(s) 1956 Quebec City, CANADA P. A. Giguere 1957 Washington DC, USA H. P. Broida, A. M. Bass 1958 Sheffield, UK G. Porter 1959 Washington DC, USA H. P. Broida, A. M. Bass 1961 Uppsala, SWEDEN S. Claesson 1963 Cambridge, UK B. A. Thrush 1965 Padua, ITALY G. Semerano 1967 Novosibirsk, USSR V. N. Kondratiev 1969 Banff, CANADA H. Gunning, D. A. Ramsay 1971 Lyon, FRANCE M. Peyron 1973 Konigsee, GERMANY W. Groth 1976 Laguna Beach, CA, USA E. K. C. Lee, F. S. Rowland 1977 Lyndhurst, Hants, UK A. Carrington 1979 Sanda, Hyogo-ken, JAPAN Y. Morino, I. Tanaka 1981 Ingonish, NS, CANADA W. E. Jones 1983 Lauzelles-Ottignies, BELGIUM R. Colin 1985 Granby, Colorado, USA K. M. Evenson, R. F. Curl, H. E. Radford 1987 Oxford, UK J. M. Brown 1989 Dalian, CHINA Postponed 1990 Susono, Shizuoka, JAPAN H. Hirota 1991 Williamstown, MA, USA S. D. Colson 1993 Doorworth, NETHERLANDS H. ter Meulen 1995 Victoria, BC, CANADA A. J. Merer 1997 Tallberg, SWEDEN M. Larsson 1999 Flagstaff, AZ, USA T. A. Miller 2001 Assisi, ITALY P. Casavecchia 2004 Taipei, TAIWAN Y. P. Lee 2005 Leysin, SWITZERLAND J. P. Maier, F. Merkt, M. Quack 2007 Big Sky, MT, USA R. E. Continetti 2009 Savonlinna, FINLAND L. Halonen, R. Timonen 2011 Port Douglas, AUSTRALIA E. Bieske, S. Kable 5 Sponsors The organizers of the 31st International Symposium on Free Radicals would like to thank the following sponsors. Their
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