A review of: “From Chemical Topology to Three-Dimensional Geometry”

Abstract

Balaban, A. T. (1997). Plenum Press, New York. 420 pp. Hardcover, ISBN: 0-306-45462-9, US$125.00. (ordering information can be obtained from: http://www.plenum.com)     

Book Review

Abstract

A Guide to Organophosphorus Chemistry, by Louis D. Quin, an internationally recognized authority, published by John Wiley and Sons (http://www.wiley.com/chemistry) ISBN 0-471-31824-8, $94.95, 394pp.

Aminophosphonic and Aminophosphinic Acids: Chemistry and Biological Activity. Editors: Valery P. Kukhar (Ukrainian Academy of Sciences) and Harry R Hudson (University of North London). Published by John Wiley and Sons Ltd., Chichester, UK, on 31 March, 2000. ISBN 0 471-89149-5, 175.00 Pounds sterling, 634 pages.

Phosphorus Ylides. Chemistry and Application in Organic Synthesis, by Oleg I. Kolodiazhnyi. Published by Wiley-VCH, 1999, ISBN 3-527-29531-3, 220SF, 555 pages.     

Book Reviews

Abstract

TROUBLESHOOTING IN DER HPLC (Fehlersuche in der HPLC) by N. Vonk, B. G. J. Baars and H. Schaller, Birkhauser Verlag, Therwill (Switzerland), 140 pages, ISBN 3-7643-2400-7, SFr 44.80.

WATER SAMPLING, ed., J. M. Krajca, Ellis Horwood Ltd., Chichester, U.K., 212 pages. £39.95, ISBN 0-853128138.     

Book Review

Abstract

ENVIRONMENTAL SOIL AND WATER CHEMISTRY, by V.P. Evangelou, 564 pages, Wiley Interscience, New York (1998). ISBN 0-471-16515-8. £ 51.95.

ENVIRONMENTAL TRANSPORT PROCESSES, by B.E. Logan, 654 pages, Wiley Interscience, New York (1999). ISBN 0-471-18871-9. £58.50

MERCURY CONTAMINATED SITES. Characterization, risk assessment and remediation, edited by R. Ebinghaus, R.R. Turner, L.D. de Lacerda, O. Vasiliev and W. Salomons, 538 pages, Springer-Verlag, Berlin (1999). ISBN 3-540-63731-1. DM 198.00. USD 129.00

ENVIRONMENTAL PHOTOCHEMISTRY, edited by P. Boule, 359 pages, Springer-Verlag, Berlin (1999). ISBN 3-540-62913-0. DM 298.00

A BEGINNER'S GUIDE TO MASS SPECTRAL INTERPRETATION, by T. A. Lee, 186 pages, John Wiley & Sons, Chichester, (1998). ISBN 0-471-97629-6 USD 19.99

TECHNIQUES IN AQUATIC TOXICOLOGY, edited by Gary K. Ostrander, 686 pages, CRC Press, Boca Raton, Florida. (1996). ISBN 1-56670-149-X, £ 65.00

HANDBOOK OF CHEMOMETRICS AND QUALIMETRICS. Part B, by D.L. Massart, L.M.C. Buydens, S. de Jong, P.J. Lewi and J. Smeyers-Verbeke, 732 pages, Elsevier, Amsterdam (1998). ISBN 0-444-82853-2. USD 201.00     

Book Reviews

Abstract

HANDBOOK FOR ESTIMATING PHYSICOCHEMICAL PROPERTIES OF ORGANIC COMPOUNDS, by M. Reinhard and A. Drefal, 228 pages, J. Wiley, New York (1999). ISBN 0—471—172634. UK £ 210.00

THE CHEMISTRY OF POLLUTION, by G. Fellenberg, 192 pp. J. Wiley & Sons, Chichester, U.K. (1999). ISBN 0—471—980889. UK£ 24,95.

NATURAL ATTENUATION OF FUELS AND CHLORINATED SOLVENTS IN THE SUBSURFACE, by T.H. Wiedemeier, H.S. Rifai, C.J. Newell and J.T. Wilson, 617 pages, J. Wiley, New York (1999). ISBN 0—471—19749—1. UK £ 58.50

UNDERSTANDING OUR ENVIRONMENT, 3^rd, edition, edited by R.M. Harrison, 445 pages, The Royal Society of Chemistry, Cambridge (UK) (1999). ISBN 0—85404—584—8. UK£ 19.95

ENDOCRINE DISRUPTING CHEMICALS, Vol. 12 of Issues in Environmental Science and Technology, edited by R.E. Hester and R.H. Harrison, 152 pages, Royal Society of Chemistry, Cambridge (U.K.) (1999). ISBN 0—85404—255—5. UK£ 25,00

METHOD PERFORMANCE STUDIES FOR SPECIATION ANALYSIS. by P. Quevauviller, 271 pages, The Royal Society of Chemistry, Cambridge (U.K.) (1998). ISBN 0—85404—467—1. UK£ 59.50

GLOBAL AQUATIC AND ATMOSPHERIC ENVIRONMENT, by H.D. Kumar and D.P. Häder, 393 pages, Springer, Berlin (1999). ISBN 3—540—65369—4. USD 229.00

BIOACCUMULATION. New Aspects and Developments, edited by B. Beek, 284 pages, Springer, Heidelberg, 2000. ISBN 3—540—62575. USD 143.00

INTERLABORATORY STUDIES AND CERTIFIED REFERENCE MATERIALS FOR ENVIRONMENTAL ANALYSIS. The BCR approach, by Ph. Quevauviller and E.A. Maier, 558 pages, Elsevier Science, Amsterdam NL, (1999). ISBN 0—444—82389—1. USD 251.50 (Euro 224.62).     

Perkin-Elmer introduce new gas chromatograph

Abstract

APPLICATIONS OF MASS SPECTROMETRY TO TRACE ANALYSIS. Ed. S. Facchetti, Elsevier, US $78.75, Dfl. 185.00.

QUANTITATIVE AQUATIC BIOLOGICAL INDICATORS. by David J. H. Phillips, Fisheries Research Station Aberdeen, Hong Kong, POLLUTION MONITORING SERIES (1980), 488 pages (including 99 figures, 103 tables, 44 pages of literature references up to 1978, an author index of 10 pages, a species index of 4 pages, and a subject index of 18 pages), linen, format 228 × 148 mm, ISBN 0-85334-884-7, Applied Science Publishers Ltd., London, £26.

DIRECTORY OF POLLUTION CONTROL EQUIPMENT COMPANIES IN WESTERN EUROPE, Third Edition (1980), 588 pages (including an index of 127 pages, which is however-structured somewhat arbitrarily according to types of equipment and according to countries), stiff paper cover, format 210 × 147 mm, ISBN 0 906685 00 1, European Directories, a Division of Inter Company Comparisons Ltd., 23, City Road, London EC1Y 1AA, £30.

HALOGENATED BIPHENYLS, TERPHENYLS, NAPHTHALENES, DIBENZODIOXINS AND RELATED PRODUCTS, by R. D. Kimbrough (ed.) (Elsevier Biomedical Press, R.V., Amsterdam, NL. U.S. $95.00, Dfl 195.

CHROMATOGRAPHY AND THE ENVIRONMENT, Environmental problem solving using gas and liquid chromatography, R. L. Grob and M. A. Kaiser, Elsevier, Amsterdam, 1982, XII + 240 pages, ISBN 0-444-42065-7     

The Book Corner

Abstract

MULTIDIMENSIONAL CHROMATOGRAPHY, TECHNIQUES AND APPLICATIONS, Hernan J. Cortes, ed., Chromatographic Science Series, Volume 50 (series editor: Dr. Jack Cazes), Marcel Dekker, Inc., New York, 1990.

ANALYTICAL ARTIFACTS, GC, MS, HPLC, TLS AND PC, Brian S. Mlddledltch, Elsevler Sclence Publlshers, Amsterdam, The Netherlands, 1989, 1034 pp.US$260. 50.

MERCK INDEX, Susan Budavarl, ed., 11th Edition (Centennlal Edition), Merck & Co., Inc., Rahway, New Jersey, 1989.     

4-Methylisocamphenilansäure und 4-(3,3,4-Trimethyl-2-exo-norbornyl)-3-buten-2-on

The synthesis of 4-methylisocamphenilanic acid (7) and of the unsaturated ketone 4-(3,3,4-trimethyl-2-exo-norbornyl)-3-buten-2-one (2), an analogue of -irone (1), are described. The preparation of2 has been accomplished by: catalyzedDiels—Alder reaction of methylcyclopentadiene and mesityl oxide, hydrogenation and isomerization of the resulting ketone mixture to theexo-ketone6, oxidation of6 to the acid7, reduction of7 to the corresponding aldehyde8 and aldol reaction of8 with acetone. The structure of the key intermediate6 was established by mass, 100 MHz¹H-NMR and¹³C-NMR spectra. The odour of2 is discussed briefly.

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Teil der Diplomarbeit vonI. Schmidmayer.

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9. Mitt.,G. Buchbauer undM. Wiltschko. J. Soc. Cosmet. Chem., im Druck.

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8. Mitt.,G. Buchbauer undE. Klissenbauer, Mh. Chem.109, 499 (1978).     

Book Reviews

Glossary On Air Pollution, Who Regional Publications European Series No. 9 (Director, Promotion of Environmental Health, WHO Regional Office for Europe, Scherfigsvej 8, DK-2100 Copenhagen θ) 1980, 114 pages (including an introduction, a list of reviewers and a list of the sources of definitions), stiff paper cover, format 239 ± 159 mm, ISBN 92-9020-109-6, WHO Health and Biomedical Information Programme, CH-1211 Geneva 27, SFr. 12.

Spektroskopische Methoden in Der Organischen Chemie (in German), by Manfred Hesse, Herbert Meier and Bernd Zeeh, 478 pages, including 169 figures and 86 tables, flexible paper cover, ISBN 3-13-576101-0, Georg Thieme Verlag, Stuttgart 1979, price DM 26.80.

Analysis of Polycyclic Aromatic Hydrocarbons in Environmental Samples, World Health Organisation/International Agency for Research on Cancer, IARC Publication No. 29 (Series: Environmental Carcinogens, Selected Methods of Analysis, Volume 3, edited by H. Egan, Laboratory of the Government Chemist, London, U.K. et al.) 1980, 240 pages (including 17 figures, 18 tables, many formulae, an annex with 8 methods of analysis and 29 pages of valuable references in two sections), linen, format 242 ± 186 mm, ISBN 92-8-321129-4, WHO Health and Biomedical Information Programme, CH-1211 Geneva 27, US$30 or SFr. 50.

Toxic Metals and Their Analysis by Eleanor Berman, Cook County Hospital, Chicago, Illinois, U.S.A., 304 pages (including an index of 5 pages, 29 tables and 5 figures), linen, format 241 × 163 mm, ISBN 0-85501-468-7, published 1980 by Heyden International Topics in Science, Spectrum House, Hillview Gardens, London NW4 2JQ, U.K., prices £12, US$27 or DM 56.     

The Book Corner

Abstract

CHROMATOGRAPHIC ANALYSIS OF PHARMACEUTICALS, John A. Adamovics, Editor, Volume 49, Chromatographic Science Series, Marcel Dekker, Inc., New York, 1990. Price – 16125.00 (USA and Canada), $150.00 (all other countries).

PACKINGS AND STATIONARY PHASES IN CHROMATOGRAPHIC TECHNIQUES, Klaus K. Unger, Editor, Volume 47, Chromatographic Licience Series, Marcel1 Dekker, Inc., New York. Price – $150.00 (USA and Canada), $180.00 (all other countries).

DOWNSTREAM PROCESSING AND BIOSEPARATION. RECOVERY AND PURIFICATION OF BIOLOGICAL PRODUCTS, J.-F. P. Hammel, J. B. Hunter, S. K. Slkdar, eds, ACS Symposlum Serles No. 419, AmerIcan Chemlcal Soclety, Washlngton, 1990. Price, US$69.95, 311 pp.     

Book Reviews

Abstract

Neure Methoden zur Analyse von Tensiden, H. Konig, Springer-Verlag, Berlin-Heidelberg-New York. 25Abb., VII, 239 pages. 1971, DM 58.00. ISBN 3-540-05581-9. Reviewed by T. Rihs, Instituto Nacional de Investigaciones Agropecuarias, Apartado 340, Quito, Ecuador.

P. P. FIETZEK und K. KUHN, H. CLEVER, H. KRECH, W. MARKS, F. OEHME: “Automation in Analytical Chemistry” 32 Abb., 103 Seiten, 1972, DM 28, -, U.S. $8.90. Springer-Verlag, Berlin-Heidelberg-New York. ISBN 3-540-05758-7. Begutachtet von S. Wolf, Hoffman-La Roche, Basle, Switzerland.     

Book Reviews

Abstract

WATER AND WATER ANALYSIS (in German: Wasser und Wasseruntersuchung), 2nd revised edition in the Series “Laboratory Books in Chemistry”, by Leonhard A. Hiitter, A-6060 Hall in Tirol, Austria, 344 pages (including 38 figures, 34 tables, 43 pages with newest literature references and other informations (regulations, addresses) mainly from Germany, Austria and Switzerland, and a good index of nine pages), carton cover, format 227 × 165 mm, ISBN 3-425-05075-3, Verlag Diesterweg/Salle, D-6000 Frankfurt/Main and Sauerlander, CH-5000 Aarau (1984), DM 48.00

AQUATIC TOXICOLOGY, Volume 2 of a Series, edited by Laverne J. Weber, Marine Science Center, Oregon State University, Newport, Oregon, U.S.A., 236 pages (including 7 tables, 33 figures, references (mainly of the 1970's) added to each chapter, and a valuable subject index of 6 pages), linen, format 243 × 163 mm, ISBN 0-89004-439-2, Raven Press, New York 10036 (1984), US $55.00

TOXICITY TESTING, NEW APPROACHES AND APPLICATIONS IN HUMAN RISK ASSESSMENT, edited by Dr. A. P. Li et al., Enviromental Health Laboratory Monsanto Company, St. Louis, Missouri, U.S.A., 295 pages (including 37 tables, 49 figures, newest references added to each contribution, discussion statements, a good subject index of six pages, and an address list of contributors), linen, format 241 × 162mm, ISBN 0-88167-083-9, Raven Press, New York (1983/1985), US $50.50

HEALTH RISKS TO FEMALE WORKERS IN OCCUPATIONAL EXPOSURE TO CHEMICAL AGENTS, by Prof. Dr. Reinier L. Zielhuis et al., Coronel Laboratorium, Universiteit van NL-1054 BW Amsterdam, The Netherlands, 132 pages (including 30 tables, references added to each chapter, an appendix on recent data, but no subject index), soft cover, format 242 × 165mm, ISBN 3-540- 13579-0, Springer-Verlag, Berlin-Heidelberg-New York-Tokyo (1984), DM 70.00, or approximately US $24.60

IS THE SOIL DYING (in German: Stirbt der Boden)? GDI-Series Man-Nature-Environment, by Dr. Volker Hauff et al., D-5300 Bonn, 250 pages (including 49 figures, 34 tables, an author index of two pages, but no subject index), soft cover, format 241 × 171 mm, no ISBN-number, GDI-Buchhandlung, CH-8803 Riischlikon, Switzerland (1985), SFr. 50.00

THE HANDBOOK OF ENVIRONMENTAL CHEMISTRY, PARTS C and D, edited by Prof. Dr. Otto Hutzinger, Chair of Ecological Chemistry and Geochemistry, D-8580 Bayreuth, linen, format 248 × 170 mm, Springer-Verlag Berlin-Heidelberg-New York-Tokyo (1985).     

Molecular structure, barriers to internal rotation, and the enthalpy of formation of cumene hydroperoxide PhCMe2OOH: a DFT study

Conformational analysis of cumene hydroperoxide PhCMe₂OOH (1) has been carried out using the density functional methods B3LYP/6-31G(d,p) and B3LYP/6-311+G(3df,2p). Ignoring rotation of methyl groups, molecule 1 has seven conformers differing in orientation of the — CMe₂OOH fragment relative to the benzene ring and in mutual position of atoms in this fragment. The molecular structures, relative energies, and statistical distribution of the conformers were determined, and intramolecular rotational barriers were estimated. The enthalpies of formation of all conformers of molecule 1 were calculated using two approximations with inclusion of zero-point vibrational energy and temperature correction. Calculations using the isodesmic reaction (IDR) scheme made it possible to reduce the systematic error of the determination of the enthalpy of reactions. The total enthalpy of formation of compound 1 calculated with inclusion of statistical distribution of rotamers equals −19.7±3.6 kcal mol⁻¹. The combination of the B3LYP/6-31G(d,p) approximation and the IDR scheme gives fairly accurate results (relative error is ±0.4 kcal mol⁻¹) as compared to those obtained with the extended basis set 6-311+G(3df,2p). Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1157–1164, June, 2008.     

Books

Abstract

“CHROMATOGRAPHY OF ANTIBIOTICS”, G. H. Wagman & M. J. Weinstein, Elsevier Science Publishers, Amsterdam, 1984, 510pp., $113.50 (US).

“STERIC EXCLUSION LIQUID CHROMATOGRAPHY OF POLYMERS”, J. Janca, Ed., Marcel Dekker, Inc., New York & Basel, 1984, 329pp., $55.00 (US).

“CHROMATOGRAPHIC STUDIES OF BIOGENESIS OF PLANT VOLATILES”, P. Schreier, Dr. Alfred Huthig Verlag GmbH., Heidelberg, 1984, 165pp., $34.00 (US).     

Book Reviews

Ion-Selective Electrodes in Analytical Chemistry, VOL. 2, H. Freiser (ed.), Plenum Press, New York, 1980.

Pesticide Analytical Methodology by John Harvey, Jr. (E. I. Du Pont de Nemours and Company) and Gunter Zweig (U.S. Environmental Protection Agency), ACS Symposium Series 136, 406 pages (including 177 figures, 54 tables and an index of 18 pages), linen, format 235 × 160mm, ISBN 0-8412-0581-7, American Chemical Society, 1155 Sixteenth Street, N.W. Washington, D.C. 20036, 1980, US38.00.

Particulates in Water, Characterization, Fate, Effects, and Removal by Michael C. Kavanaugh (James M. Montgomery, Consulting Engineers, Inc., Pasadena) and James O. Leckie (Stanford University, Stanford) ACS Advances in Chemistry Series 189, 401 pages (including 145 figures, 56 tables and an index of 11 pages), linen, format 235 × 160mm, ISBN 0-8412-0499-3, American Chemical Society, 1155 Sixteenth Street, N.W. Washington, D.C. 20036, 1980, USS59.50.

Pesticide Manufacturing and Toxic Materials Control Encyclopedia Editor, M. Sittig; 810 pages, $96; 1980, Noyes Data Corporation, Park Ridge, N.J., U.S.A. ISBN 0-8155-0814-X. Reviewed by A. de Kok, Section of Environmental Chemistry, Free University, Amsterdam, The Netherlands.

Dictionary of Chemical Terminology (In Five Languages–English, German, French, Polish and Russian. Edited by D. Kryt, Warsaw, Poland). Elsevier Scientific Publishing Company, Amsterdam and New York. 1980, 612 pages, Price: US $95.00/Dfl. 195.00 ISSBN 0-444-99788-1.     

Synthese und Eigenschaften einiger neuer hydroxylsubstituierter Laserfarbstoffe auf Cumarinbasis Lumineszierende Heterocyclen, 8. Mitt.

Condensation of ethyl acetoacetate with 1,3-, 1,6-and 2,7-dihydroxynaphthalene, resp., as well as with 4,7-dihydroxycoumarin affords four new coumarines (1–4). The pyronocoumarin system of4 may alternatively be synthesized by reacting 3-anilinomethylene-7-hydroxy-2,4-chromandione with nitriles such as ethyl cyanoacetate, malodinitrile, cyanoacetamide, 4-nitrophenylatonitril or -cyanoacetophenone to give the strongly fluorescent pyrones5 a-e. The solvent and acidity dependent absorption and emission spectra are presented.2, 3, 4 and5 a-c lase very efficiently, giving green, yellow or red laser light.

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7. Mitt.:O. S. Wolfbeis, Mh. Chem.109, 905 (1978).     

The Book Corner

Abstract

Modern NMR Techniques and Their Applications in Chemistry, Edited by A. I. Popov and K. Hallenga, Marcel Dekker, Inc., New York, NY 10016, 1991, 680 pp. Price: $135.00; $162.00 outside USA and Canada.

Chromatographic Analysis of Alkaloids, M. Popl, J. Fahnrich and V. Tatar, Chromatographic Science Series, Volume 53, Marcel Dekker, Inc., New York, NY 10016, 1990, 664 pp. Price: $1 50.00; $180.00 outside USA and Canada.

Luminescence Techniques in Chemical and Biochemical Analysis, Edited by W. R. G. Baeyens, D. DeKeukeleire and K. Korkidis, Practical Spectroscopy Series, Volume #12, Marcel Dekker, Inc., New York, NY, 654 pages, 1991. Price: $1 50.00 (USA and Canada); $1 80.00 (all other countries).

Wood and Cellulosic Chemistry, Edited by D.N.6. Hon and N. Shiraishi, Marcel Dekker, Inc., New York, NY, 1020 pages, 1990. Price: $195.00 (USA and Canada); $234.00 (all other countries).     

Zur Reaktion von 4-Hydroxy-2-chinolon mit reaktiven Malonsäurederivaten

The reaction of 4-hydroxy-2-quinolone (1) with malonyl chlorides2 in the presence of N,N-dimethylaniline yields the linear pyrono-quinolones4. These are thermically rearranged to angular derivatives5, which can also be obtained by direct condensation of1 with trichlorophenyl malonates3. The reaction of 4-benzyloxy-2-quinolone with2a gives the mesoionic 1,3-oxazine derivative8.

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4. Mitt.:G. Schindler, D. Furtunopulos undTh. Kappe, Z. Naturforsch.31 b, 500 (1976).

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Aus der DissertationG. Nöhammer, Graz 1971.     

Experimental and Computational Studies on the 1:1 Complex of Anthranilic Acid with P-Toluenesulfonic Acid

Abstract

The proton-transfer compound (3) was synthesized in good yields by the reaction of anthranilic acid with p-toluenesulfonic acid. It was characterized by elemental analysis, infrared spectroscopy, and X-ray single-crystal determination. The crystal structure analysis of 2-carboxyanilinium p-toulenesulfonate (3) has revealed a one-dimensional hydrogen-bonded network structure, involving the tosylate anion, the carboxyl group, and the ammonium group. The H(N)···O distances range from 1.97 to 2.23 Å. The molecular geometry and vibrational frequencies of 3 were calculated using the ab-initio method (HF) with the 6–31G(d) and 6–31+G(d,p) basis sets. The computed results indicate that the optimized geometry reproduces the crystal structure well, and the assignments of fundamental vibrations also agree well with the theoretical frequencies. The intermolecular proton transfer process between the ionic (3) and nonionic (4) structures was also investigated with the theoretical computations. The nonionic form (4) is energetically more stable than the ionic form (3) and TS(3→4) by 9.76 and 7.01 kcal/mol, respectively, including the zero-point vibrational energy correction at the HF/6–31+G(d,p) level. In addition, the atomic charges, the molecular electrostatic potentials, the nucleus-independent chemical shifts, and the frontier molecular orbitals of 3 were carried out at the HF/6–31+G(d,p) level of theory.

Supplementary materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfer, and Silicon and the Related Elements for the following free supplemental files: Additional figures and tables