ISSN 0300-9580 JCPKBH(6) 845-1060(1990)

JOURNAL OF THE CHEMICAL SOCIETY

Perkin Transactions 2 Physical Organic Chemistry

CONTENTS

845 ‘H NMR study of the substituent transmission effects through SOz and CO groups in p,p’-disubstituted derivatives of phenyl phenacyl sulphones (j3-keto sulphones) Alfons Borchardt, Andrzej Kopkowski, Zdzislaw Kornacki, and Andrzej Zakrzewski Studies on the activation pathway of phosphonic acid using acyl chlorides as activators Jacek Stawinski and Mats Thelin

Syntheses and crystal structures of seven alicyclic diols which crystallise with layer structures instead of the helical tubuland inclusion lattice Stephen C. Hawkins, Marcia L. Scudder, Donald C. Craig, A. David Rae, Razman B. Abdul Raof, Roger Bishop, and Ian G. Dance

871 The tautomeric equilibria of thio analogues of nucleic acid bases. Part 3. Ultraviolet photoelectron spectra of 2-thiouracil and its methyl derivatives

877 Molecular orbital studies of molecular exciplexes. Part 1: AM1 and PM3 calculations of the ammonia-oxygen complex and its solvation by water Ivan Juranic, Henry S. Rzepa, and Minyan Yi

885 Molecular structures determined by intramolecular attractive steric interactions. Dynamic NMR and molecular mechanics investigation of 1,6-dimethylcyclo-octatetraene J. Edgar Anderson and Peter A. Kirsch

891 The addition of cyanide ion to N-alkyl-3-carbamoylpyridinium ion in hexadecyltrimethylammonium bromide reversed micelles: the effects of alkyl chain length Ayako Goto and Hiroshi Kishimoto

897 I3C Chemical shift sensitivity to charge in delocalized carbocations and its relation to ring current anisotropy Bertil Eliasson, Dan Johnels, Ingmar Sethson, Ulf Edlund, and Klaus Miillen

901 Conformational analysis of some four-carbon 2,2’-bridged biphenyls Parviz Rashidi-Ranjbar and Jan Sandstrom

907 Mechanisms of nucleophilic reactions of 4-benzoyl-4-methylcyclohexa-2,5-dienone and its benzoyl substituted derivatives Lorraine B. Jackson and Anthony J. Waring

91 5 Menschutkin reactions of aliphatic diamines with methyl iodide in acetonitrile-methanol mixtures. Evaluation of the role of the non-reacting nitrogen atom

921 An NMR study of the equilibria involved with benzotriazole, carbonyl compounds, and their adducts Alan R. Katritzky, Subbu Perumal, and G. Paul Savage

925 Application of coupled oscillator theory to conformational analysis of glycosides with aromatic groups Masato Kodaka 93 1 Radical cations and anions from some simple polythiophenes: an ESR investigation Angelo Alberti, Laura Favaretto,

Giancarlo Seconi, and Gian Franco Pedulli

937 Gas phase oxygenation of benzene derivatives at ca. 300 K with O(3P) atoms produced by microwave discharge of N,O. Part 1. Rates and mechanism of phenol formation Veronica M. Sol, Michiel A. van Drunen, Robert Louw, and Peter Mulder

943 A quantitative molecular-orbital study of the structures and vibrational spectra of the hydrogen-bonded complexes HzO=NH3, HzC0.NH3, and (H,O),, n = 2-4 Henry S. Rzepa and Minyan Yi

953 Exploring the inclusion properties of new clathrate hosts derived from tartaric acid. X-Ray structural characterization of the free ligands and their selective interaction modes with alkylamine guests Israel Goldberg, Zafra Stein, Edwin Weber, Norbert Dorpinghaus, and Sybille Franken

849

855

Alan R. Katritzky, Miroslaw Szafran, and Genevi&ve Pfister-Guillouzo

Yasuhiko Kondo, Hideyuki Kambe, and Shigekazu Kusabayashi

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CONTENTS

965

97 1

975

98 1

985

989

993

1001

1005

101 1

1017

1029

1035 1041

1045

1051

1059

The alkaline stability of (5Z)-7-([2RSy4RS,5SR]-4-o-hydroxyphenyl-2-trifluoromethyl- 1,3-dioxan-5-yl)hept-5-enoic acid, ICI 185282. A remarkable intramolecular hydride transfer from a trifluoromethyl substituted carbon atom Jethro L. Longridge and Stuart Nicholson Organophosphorus compounds. Part 43. A molecular mechanics study: the structural effect of cyclic esters of phosphorus- based acids in hydrolytic reaction Xiugao Liao, Shusen Li, and Chengye Yuan Electron spin resonance studies of electron capture processes. Part 7. G* (3-electron covalent bond) radical anions of halogenoimidazoles Martyn C. R. Symons and W. Russell Bowman Photochemistry of substituted cyclic enones. Part 7. Flash photolysis of 3-phenylcyclopent-2-enones and 3- phenylcyclohex-2-enone John M. Kelly, T. Brian H. McMurry, and D. Neil Work

Structural aspects and conformational analysis of 1 1 -dichloro-2,2-bisCp-(NyN-dimethylamino)phenyl]ethane Amitabha De

Epoxidation of alkenes catalysed by Mn" (Schiff base) complexes Dan D. Agarwal, Rajendra P. Bhatnagar, Rajeev Jain, and Savita Srivastava

Synthesis and photophysical properties of fluorescent anthracenophanes incorporating two polyoxadioxoalkane chains Jean Hinschberger, Jean-Pierre Desvergne, Henri Bouas-Laurent, and Pierre Marsau Determination of the tautomerism of 5,5-disubstituted analogues of 6-amino-2-thiouracil by ' H and ' 3C nuclear magnetic resonance spectroscopy Bozenna Golankiewicz, Joanna Zeidler, and Mariusz Popenda Optical resolution of the a-tocopherol spiro dimer and demonstration of its fluxional nature Henry M. Fales, Helen A. Lloyd, James A. Ferretti, James V. Silverton, Donald G. Davis, and Hideo Kon A conformational study of diterpenoid lactones isolated from the Chinese medicinal herb Andrographis paniculata Craig J. Medforth, R. Shihman Chang, Gai-Qing Chen, Marilyn M. Olmstead, and Kevin M. Smith The excess basicity of alkali metal methoxides in methanol Alessandro Bagno, Gianfranco Scorrano, and Francois Terrier Marked effect of the shape of solvent molecules on molecular recognition in the oxidation of associating thiols Tadashi Endo, Hiromichi Takei, Takashi Isago, Kazuo Guro, Yutaka Nakajima, Jun-ichi Kato, and Masato M. Ito lY3-Dipolar cycloadditions of cyclic nitrones with trisubstituted alkenes Sk. Asrof Ali and Mohammed I. M. Wazeer Electrochemistry of some ethyl a-bromo(dihalopheny1) acetates and electrochemical synthesis of diastereoisomeric diethyl 2,3-bis(dihalogenophenyl)succinates Leonard0 Mattiello, Carlo De Luca, and Liliana Rampazzo

Kinetics and thermodynamics of the structural transformations of thiamine in aqueous media. Part 5. Interaction of thiamine with SDS micelles Jean Michel El Hage Chahine Collisionally activated dissociation of 1-benzyloxypyridinium cations Alan R. Katritzky, Zofia Dega-Szafran, Clifford H. Watson, and John R. Eyler An isochoric probe of the role of solvent structure in the kinetics of neutral hydrolysis of two 1-acy1-1,2,4-triazo1es in aqueous solution Jan B. F. N. Engberts, Jan V. Haak, Michael J. Blandamer, John Burgess, and Heather J. Cowles

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AUTHOR INDEX

Abdul Raof, Razman B., 855 Agarwal, Dan D., 989 Alberti, Angelo, 931 Ali, Sk. Asrof, 1035 Anderson, J. Edgar, 885 Bagno, Alessandro, 1017 Bhatnagar, Rajendra P., 989 Bishop, Roger, 855 Blandamer, Michael J., 1059 Borchardt, Alfons, 845 Bouas-Laurent, Henri, 993 Bowman, W. Russell, 975 Burgess, John, 1059 Chang, R. Shihman, 101 1 Chen, Gai-Qing, 101 1 Cowles, Heather J., 1059 Craig, Donald C., 855 Dance, Ian G., 855 Davis, Donald G., 1005 De, Amitabha, 985 Dega-Szafran, Zofia, 105 1 De Luca, Carlo, 1041 Desvergne, Jean-Pierre, 993 Dorpinghaus, Norbert, 953 Edlund, Ulf, 897 El Hage Chahine, Jean Michel,

Eliasson, Bertil, 897 1045

1 1 1 1 1 1 1 ( ( ( ( I I 1 I I J J

Zndo, Tadashi, 1029 Zngberts, Jan B. F. N., 1059 Zyler, John R., 1051 :ales, Henry M., 1005 :avaretto, Laura, 931 ;erretti, James A., 1005 Tranken, Sybille, 953 Solankiewicz, Bozenna, 1001 Soldberg, Israel, 953 3oto, Ayako, 891 Suro, Kazuo, 1029 -Iaak, Jan V., 1059 jawkins, Stephen C., 855 jinschberger, Jean, 993 sago, Takashi, 1029 to, Masato M., 1029 lackson, Lorraine B., 907 lain. Raieev. 989 Johnels,-Dan, 897 Juranic, Ivan, 877 Kambe, Hideyuki, 91 5 Kato, Jun-ichi, 1029 Katritzky, Alan R., 871

Kelly, John M., 981 Kirsch, Peter A., 885 Kishimoto, Hiroshi, 89 Kodaka, Masato, 925

1051 921,

Kondo, Yasuhiko, 915 Kon, Hideo, 1005 Kopkowski, Andrzej, 845 Kornacki, Zdzislaw, 845 Kusabayashi, Shigekazu, 9 15 Liao, Xiugao, 971 Li, Shusen, 971 Lloyd, Helen A., 1005 Longridge, Jethro L., 965 Louw, Robert, 937 Marsau, Pierre, 993 Mattiello, Leonardo, 1041 McMurry, T. Brian H., 981 Medforth, Craig J., 101 1 Mulder, Peter, 937 Mullen, Klaus, 897 Nakajima, Yutaka, 1029 Nicholson, Stuart, 965 Olmstead, Marilyn M., 101 1 Pedulli, Gian Franco, 931 Perumal, Subbu, 921 Pfister-Guillouzo, GeneviGve,

Popenda, Mariusz, 1001 Rae, A. David, 855 Rampazzo, Liliana, 1041 Rashidi-Ranjbar, Parviz, 901 Rzepa, Henry S., 877,943

87 I

Sandstrom, Jan, 901 Savage, G. Paul, 921 Scorrano, Gianfranco, 1017 Scudder, Marcia L., 855 Seconi, Giancarlo, 93 1 Sethson, Ingmar, 897 Silverton, James V., 1005 Smith, Kevin M., 101 1 Sol, Veronica M., 937 Srivastava, Savita, 989 Stawinski, Jacek, 849 Stein, Zafra, 953 Symons, Martyn C. R., 975 Szafran, Miroslaw, 87 1 Takei, Hiromichi, 1029 Terrier, Francois, 1017 Thelin, Mats, 849 van Drunen, Michiel A., 937 Waring, Anthony J., 907 Watson, Clifford H., 1051 Wazeer, Mohammed I. M.,

Weber, Edwin, 953 Work, D. Neil, 981 Yi, Minyan, 877,943 Yuan, Chengye, 97 1 Zakrzewski, Andrzej, 845 Zeidler, Joanna, 1001

1035

NOTE: An asterisk in the heading of each paper indicates the author who is to receive any correspondence.

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