ISSN 0956-5000 JCFTEV(I 3) 1811-2002 (1994) JOURNAL OF THE CHEMICAL SOCIETY Faraday Transactions Physical Chemistry & Chemical Physics CONTENTS 1811 Ab initio quantum chemistry study of the gas-phase reaction of ClO with HO, D. Buttar and D. M. Hirst 1819 Mechanism of atmospheric oxidation of 1,1,1,2-tetrafluoroethane(HFC 134a) 0. V. Rattigan, D. M. Rowley, 0. Wild, R. L. Jones and R. A. Cox 1831 Transition vector symmetry and the internal pseudo-rotation and inversion paths of ClF,' R. M. Minyaev and D. J. Wales 1839 Gradient-line reaction paths for 1,2 H shift reactions in phosphinonitrene and formaldehyde, and H, elimination from formaldehyde R. M. Minyaev and D. J. Wales 1849 Non-linear optical properties of organic molecules. Part 13.-Calculation of the structure and frequency-dependent hyperpolarisability of a blue azothiophene dye J.0. Morley 1853 Non-linear optical properties of organic molecules. Part 14.--Calculations of the structure, electronic properties and hyperpolarisabilities of cyclopentadienylpyridines J. 0. Morley 1857 Photoinduced electron transfer in a-helical poly(L-lysine) carrying randomly distributed donor-acceptor pairs. A kinetic and conformational statistics investigation B. Pispisa, M. Venanzi and A. Palleschi 1865 Irreversible thermodynamic coupling between heat and matter fluxes across a gas/liquid interface S. C. Doney 1875 Thermodynamic properties of (r6 mol kg-' aqueous sulfuric acid from 273.15 to 328.15 K S. L. Clegg, J. A. Rard and K. S. Pitzer 1895 Pitzer model parameters for sparingly soluble salts from solubility measurements : Thallium(1) chloride in aqueous solutions of ammonium chloride, rubidium chloride and caesium chloride at 298.15 K K.H. Khoo, K. R. Fernando and L-H. Lim 1899 Ionic partial molar volumes in non-aqueous solvents Y. Marcus, G. Hefter and T-S. Pang 1905 Differential scanning microcalorimetric study of sodium di-n-dodecylphosphate vesicles in aqueous solution M. J. Blandamer, B. Briggs, P. M. Cullis, J. B. F. N. Engberts and D. Hoekstra 1909 Very large thermal separations for polyelectrolytes in salt solutions D. G. Leaist and L. Hao 1913 Redox properties of ubiquinone (UQ,,) adsorbed on a mercury electrode G. J. Gordillo and D. J. Schiffrin 1923 Studies of silver electronucleation onto carbon microelectrodes H.Sousa, S. Pons and M. Fleischmann 1931 Self-diffusion and viscoelasticity of dense hard-sphere colloids D. M. Heyes and P. J. Mitchell 1941 Hydration of polar interfaces. A generalised mean-field model S. Kirchner and G. Cevc 1953 Kinetics of self-replicating micelles J. Billingham and P. V. Coveney 1961 Micellisation and gelation of triblock copolymer of ethylene oxide and E-caprolactone, CL,E,CL, , in aqueous solution L. Martini, D. Attwood, J. H. Collett, C. V. Nicholas, S. Tanodekaew, N-J. Deng, F. Heatley and C. Booth 1967 EPR/ENDOR characterization of radicals produced in the photopolymerization of a dimethacrylate monomer E.Selli, C. Oliva and G. Termignone 1973 Dissolution of amorphous aluminosilicate zeolite precursors in alkaline solutions.Part 2.-Mechanism of the dissolution T. Antonic, A. Ciimek and B. Subotic 1979 Effects of hydrogen and deuterium concentration on measurements of the solubility and diffusivity of hydrogen iso-topes in yttrium T. Maeda, S. Naito, M. Yamamoto and M. Mabuchi 1983 Heterogeneous catalysis in solution. Part 27.-Reaction between titanium(rr1) and triiodide ions catalysed by platinum S. Xiao and M. Spiro 1987 X-Ray photoelectron spectroscopy, temperature-programmed desorption and temperature-programmed reduction study of LaNiO, and La2Ni0,+, catalysts for methanol oxidation J. Choisnet, N. Abadzhieva, P. Stefanov, D. Klissurski, J. M. Bassat, V. Rives and L. Minchev 1993 Addition of manganese to iron catalysts supported on silicalite-1 and its effect on CO hydrogenation G.Ravichandran, D. Das and D. K. Chakrabarty FARADAY COMMUNICATIONS 1999 Microwave synthesis of the colloidal poly(N4sopropylacrylamide) microgel system M. Murray, D. Charlesworth, L. Swires, P. Riby, J. Cook, B. Z. Chowdhry and M. J. Snowden ~ 2001 Corrigendum to Sorption of organic solvents into dense silicone membranes. Parts 1 and 2 E. Favre, Q. T. Nguyen, P. Schaetel, R. Clement and J. Nee1 Corrigendum to Fluorescence anisotropy decays and viscous behaviour of 2-methyltetrahydrofuran B. Brocklehurst and R. N. Young Corrigendum to Small-angle neutron scattering investigations of the structure of thixotropic dispersions of smectite clay colloids J. D. F. Ramsay, P.Lindner, A. Matsumoto and S. W. Swanton 2002 Corrigendum to Primitive model electrolytes in modified Poisson-Boltzmann theory C. W. Outhwaite, M. Molero and L. B. Bhuiyan Note: Where an asterisk appears against the name of one or more of the authors, it is included with the authors’ approval to indicate that correspondence may be addressed to this person. COPIES OF CITED ARTICLES The Royal Society of Chemistry Library can usually supply copies of cited articles. For further details 1 contact: The Library, Royal Society of Chemistry, Burlington House, Piccadilly, London W1V OBN, UK Tel: +44 (0)71-437 8656 Fax: +44 (0)71-287 9798 Telecom Gold 84: BUR210 Electronic l Mailbox (Internet) LIBRARY@RSC.ORG. If the material is not available from the Society’s Library, the staff will be pleased to advise on its availability from other sources.Please note that copies are not available from the RSC at Thomas Graham House, Cambridge. Faraday Transactions Faraday Editorial Board M.N.R. Ashfold (Chairman), School of Chemistry, University of Bristol, Cantock’s Close, Bristol, UK BS8 1TS J.A. Beswick, Universite de Paris II, Lure, F-91405 Orsay, France D.C. Clary, University Chemical Laboratory, Cambridge University, Lensfield Road, Cambridge, UK CB2 1EW L.R. Fisher, H.H. Wills Physics Laboratory, Royal Fort, Tyndall Avenue, Bristol, UK BS8 1TL B.E. Hayden, Department of Chemistry, The University, Southampton, UK SO9 5NH J.S. Higgins, Department of Chemical Engineering, Imperial College, London, UK SW7 2AY A.R. Hillman, Department of Physical Chemistry, Leicester University, University Road, Leicester, UK LE1 7RH Prof.J. Holzwarth, Fritz-Haber-lnstitut der Max Planck-Gesellschaft, Faradayweg 4-6, D-1 000 Berlin 33, Germany D. Langevin, Laboratoire de Physique Statistique, Ecole Normale Superieure, 24 Rue Lhomond 75231, Paris Cedex 05, France P.J. Sarre, Department of Chemistry, University of Nottingham, University Park, Nottingham, UK NG7 2RD R.K. Thomas, Physical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford, UK OX1 3QX International Advisory Editorial Board R.S. Berry, Department of Chemistry and The James Franck Institute, The University of Chicago, 5735 South Ellis Avenue, Chicago, IL 60637, USA A.M.Bradshaw, Fritz-Haber-lnstitut der Max-Planck-Gesellschaft, Faradayweg 4-6, D- 1000, Berlin 33, Germany A. Carrington, Department of Chemistry, University of Southampton, Highfield, Southampton, UK SO9 5NH M. Che, Laboratoire de Reactivite de Surface et Structure, URA 1106, CNRS, Universite P. et M. Curie, 4 Place Jussieu, 75252 Paris Cedex 05, France M.S. Child, Theoretical Chemistry Department, University of Oxford, 5 South Parks Road, Oxford, UK OX1 3UB B.E. Conway, Chemistry Department, University of Ottawa, 32 George Glimski Street, Ottawa K1N 6N5, Ontario, Canada G.R. Fleming, Department of Chemistry, The University of Chicago, 5735 South Ellis Avenue, Chicago, IL 60637, USA R. Freeman, Department of Chemistry, Cambridge University, Lensfield Road, Cambridge, UK CB2 1EP H.L.Friedman, Department of Chemistry, State University of New York, Stony Brook, NY 11794-3400, USA H.H.J. Girault, Laboratoire d’Electrochimie, Ecole Potytechnique Federale de Lausanne, CH-1015 Lausanne, Switzerland H. Inokuchi, Institute for Molecular Science, Myodaiji, Okazaki 444, Japan J.N. Israelachvili, Department of Chemical and Nuclear Engineering, University of California, Santa Barbara, CA 93106, USA M.L. Klein, Department of Chemistry and Laboratory for Research on the Structure of Matter, University of Pennsylvania, Philadelphia, PA 191 04-6323, USA A.C. Legon, Department of Chemistry, University of Exeter, Stocker Road, Exeter, Devon, UK EX4 4QD R.A.Marcus, Noyes Laboratory of Chemical Physics, Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, CA 91125, USA Y. Marcus, Department of Inorganic and Analytical Chemistry, The Hebrew University of Jerusalem, Jerusalem 91 904, Israel B.J. Orr, School of Chemistry, Macquarie University, North Ryde, NSW 21 11, Australia R.H. Ottewill, School of Chemistry, University of Bristol, Cantock‘s Close, Bristol, UK BS8 1TS R. Parsons, Department of Chemistry, The University, Southampton, UK SO9 5NH S.L. Price, Department of Chemistry, University College London, 20 Gordon Street, London, UK WC1H OAJ F. Rondelez, Directeur de Recherche Physicochimie des Surfaces et Interfaces, lnstitut Curie, Section Physique et Chimie, 11 rue P.et M. Curie, 75231 Paris Cedex 05, France D.K. Russell, Department of Chemistry, University of Auckland, Private Bag 92019, Auckland, New Zealand J.P. Simons, Physical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford, UK OX1 3QX S. Stoke, Department of Theoretical and Physical Chemistry, Vrije Universiteit, de Boelelaan 1083, 10181 HV, Amsterdam, The Netherlands J. Troe, lnstitut fur Physikalische Chemie, Universitat Gottingen, Tammannstrasse 6, D-3400 Gottingen, FRG J. Wolfe, School of Physics, University of New South Wales, PO Box 1, Kensington, NSW 2033, Australia C. Zannoni, Dipartimento di Chimica Fisica, Universita di Bologna, Viale Risorgimento 4, 401 36 Bologna, Italy R.N.Zare, Department of Chemistry, Stanford University, CA 94305, USA A. Zecchina, Dipartimento di Chimica Inorganica, Chimica Fisica e Chimica Materiali dell’Universita di Torino, Via P. Giuria 7, 10125 Turin, Italy C. Zhang, Director, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, PO Box 110, Dalian, PR China Message from the Chairman of Faraday Editorial Board This summer heralds a number of changes in the ‘management’ of Faraday Transactions. Professor I. W. M. Smith retires as Chairman of Faraday Editorial Board after six years of exemplary service. Ian has overseen major (and very positive!) changes in the fortunes, the appearance and the perception of the Journal. Members of the Editorial Board had an opportunity to thank Ian personally for all his hard work after the last Board meeting; I know that I also speak for a great many others in the scientific community when I say, again, thank you Ian for all your efforts on behalf of Faraday Transactions over the past six years.It is my pleasure to have been appointed to succeed Ian as Chairman of Faraday Editorial Board. Be assured, I shall be thrilled if I can help introduce so much ‘added value’ during my tenure as Chairman! Professor H. M. Frey, another stalwart not just of Faraday Editorial Board but also of the Journals Management Committee of the Royal Society of Chemistry, also stands down this summer. Monty, too, has given generously, both of his time and his wisdom, and will be a very hard act to follow.Every cloud has a silver lining; however, and the retirements of Ian and Monty, my ‘elevation’, and the appointment of Professor A. R. Hillman (from 1 October) in succession to Dr. P. J. Sarre as Scientific Editor of Faraday Transactions-more on this later-opens the way for another injection of ‘new blood’ onto the Editorial Board of Faraday Transactions. As a result, Professors Julia Higgins and Alberto Beswick, and Drs Steven Scott and Domi- nique Langevin were all invited to serve on Faraday Editorial Board; I am delighted to be able to announce that all four were happy to accept our invitation. Their appointments will help ensure that the Board and, hopefully, through it the Transactions themselves, remain dynamic in, and responsive to, all of the major areas of physical chemistry, chemical physics and biophysical chemistry.I would like to highlight the appointments of Alberto and Dominique, two new Board members from Mainland Europe. Their appointment, following closely on the heels of that of Josef Holzwarth, should be seen as a very clear signal of the Board’s intention that Faraday Transactions should become firmly recognised as the major European journal in the areas of physical chemistry, chemical physics and biophysical chemistry. I have already alluded to Rob Hillman’s appointment as the next Scientific Editor of Faraday Transactions. He will succeed Peter Sarre, who retires from office on 30th September next after five outstanding years in this role.Peter, too, will be a very hard act to follow! This is neither the time nor the place for a full appreciation of Peter’s contributions on behalf of Faraday Transactions. Suffice to say at this stage that his boundless energy, his enthusiasm, his thoroughness and his attention to detail have been absolutely crucial to the striking progress made by the Transactions during his period as Scientific Editor. Readers will not be surprised to know that more papers were received by, and published in, Faraday Transactions in 1993 than ever before, that the average time between acceptance and publication of full papers is well below 4 months (an all-time low) and that the responses to the questionnaires circulated to authors whose work has recently appeared in the Transactions are revealing a gratifyingly high level of ‘consumer satisfaction’.Credit for this very fine state of affairs must rest in large part with Peter, but he will be the first to point out that none of it would have been achieved without the sterling efforts of Dr. Bob Parker and his colleagues in the Editorial Office in Cambridge. So, what of the future? Clearly, the Transactions once again have a momentum of their own, and thus we view the future with considerable optimism. The Faraday Research Articles published to date have been very well received; this innovation is one which we will certainly continue. Similarly, we will continue to publish occasional ‘Special issues’ of the Transactions devoted to subject areas in which we would like to encourage new authors.Topics so identified for the near future include colloid chemistry and surface science. Finally, I should flag one change that is in the pipeline. With passing time the distinction between Faraday Discussions and Faraday Symposia has become increasingly blurred, to the extent that Faraday Council has taken the welcome and logical decision that all such future meetings will be Faraday Discussions (three per year). Discussions have always been published as a separate volume, whilst recent Symposia have appeared as Special Issues of the Transactions. Clearly, with the distinction removed this latter input to the Transactions will cease and all Discussions will be reported via Faraday Dis- cussions volumes. Whether you be readers, authors, or just interested observers, I and all other members of Faraday Editorial Board would be keen to receive your views on Faraday Transactions, and any suggestions you may have as to how we might further improve the service provided by the Journal. I hope to hear from you! MIKEASHFOLD July 1994