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MAGNETIC RESONANCE in CHEMISTRY Volume 35 MRCHEG 35(1-12) 1-908 (1997) ISSN 0749-1581 John Wiley & Sons Ltd MAGNETIC RESONANCE in CHEMISTRY EDITOR-IN-CHIEF ADVISORY BOARD Professor H. GUNTHER Prof. R. J. Abraham Prof. H. Kessler Universitat Siegen, Fachbereich 8, OCII, University of Liverpool Technische Universitat, D-57068 Siegen, Germany Miinchen-Garching Prof. S. Aime Dr G. E. Martin Universita degli Studi di Torino Pharmacia & Upjohn, Kalamazoo Prof. C. Altona Prof. M. L. Martin University of Leiden Université de Nantes Prof. Isao Ando Dr D. Massiot Tokyo Institute of Technology Centre de Recherche, Orleans NORTH AMERICAN EDITOR Prof. S. Berger Dr E. P. Mazzola Professor M. BARFIELD Universitat Leipzig United States FDA, Washington Department of Chemistry, University of Arizona, Prof. I. Bertini Prof. A. E. Merbach Tucson, Arizona 85721, USA Universita degli Studi di Firenze Université de Lausanne Dr G. A. Morris Dr A. M. Chippendale University of Manchester Zeneca Specialties, Manchester Prof. W. P. Power Dr G. Chmurny Guelph-Waterloo Centre SAIC Frederick Prof. P. S. Pregosin EDITORIAL BOARD Dr D. Collison Eidgenéssische Technische Hochschule, University of Manchester Ziirich Professor R. K. HARRIS Department of Chemistry, Prof. T. Cross Prof. C. J. Rhodes University of Durham, Florida State University Liverpool John Moores University South Road, Durham, DH1 3LE, UK Prof. H. Duddeck Prof. J. D. Roberts California Institute of Technology Dr J. H.K EELER Universitat Hannover Department of Chemistry, Prof. A. J. Shaka University of Cambridge, Prof. J. Elguero University of California, Irvine Lensfield Road, Consejo Superior de Investigaciones Cambridge, CB2 IEW, UK Cientificas, Madrid Prof. J. A. S. Smith Queen Elizabeth College, London Prof. R. G. Enriquez Professor W. VON PHILIPSBORN Prof. W. B. Smith Organisch-Chemisches Institut, Universidad Nacional Autonoma de Mexico Universitédt Zurich-Irchel, Texas Christian University Winterthurerstrasse 190, Dr. S. Glaser Prof. S. Sternhell CH-8057 Zurich, Switzerland Universitat Frankfurt University of Sydney Prof. P. Granger Dr J. Titman Professor W. F. REYNOLDS University of Toronto, Institut de chimie, Strasbourg University of Nottingham Chemistry Department, Prof. G. S. Harbison Prof. X.-W. Wu Toronto, Ontario, Canada, MSS 1Al University of Nebraska East China Normal University Copyright © 1997 by John Wiley & Sons, Ltd. COPYING OF ARTICLES The code and the copyright notice appearing at the bottom of the first page of an article in this journal indicates the copyright owner's consent that copies of the article may be made for personal or internal use, or for the personal or internal use of specific clients, on the condition that the copier pay for copying beyond that permitted by Sections 107 or 108 of the U.S. Copyright Law. The per-copy fee is to be paid through the Copyright Clearance Center inc. Details of their authorisation schemes may be obtained from them at 27 Congress Street, Salem, MA 01970, U.S.A. Tel: (508) 744-3350, Fax: (508) 745-9379. This consent does not extend to other kinds of copying, such as copying for general distribution, for advertising or promotional purposes, for creating new collective works, or for resale. Such permission requests, or other inquiries, should be addressed to the publisher. Contents of Volume 35 NUMBER 1 JANUARY 1997 Editorial New Submission Procedure for Authors from North America H. GUNTHER 1H NMR Characterization of Methacrylamide Polymer Conjugates with the Anti-Cancer Drug Doxorubicin V. PINCIROLI, V. RIZZO, F. ANGELUCCI, M. TATO AND A. VIGEVANI Application of Semi-Selective Excitation Sculpting for Homonuclear Decoupling During Evolution in Multi-dimensional NUR V. V. KRISHNAMURTHY Chemical Shift Assignment of Geminal Protons in 3,7-Diazabicyclo[3.3.1]nonanes: An Unexpected Deviation from the Axial/Equatorial Chemical Shift Order A. GOGOLL, H. GRENNBERG AND A. AXEN 13 NMR of Enaminones. Part 2—!"0 NMR Spectra of Primary and Secondary Enaminones: Evaluation of Substituent Increments and Intramolecular Hydrogen Bonding J.-C. ZHUO 21 Experimental Evidence for the Breakdown of the Karplus Relationship for 37(5C,"H) in 1H—C—C="C Systems T. PARELLA, F. SANCHEZ-FERRANDO AND A. VIRGILI Reference Data Review Substituent Effects on the 5N NMR Parameters of Azoles R. M. CLARAMUNT, D. SANZ, C. LOPEZ, J. A. JIMENEZ, M. L. JIMENO, J. ELGUERO AND A. FRUCHIER 35 Announcements, 77; Papers in Press, 78 NUMBER 2 FEBRUARY 1997 Conformation of (RS)- and (SS)-O,0-(2,2’-Binaphthyl)-N-(a-benzylethyl) Phosphamidate J. LIU, M. WANG, M. WANG, W. CHEN, Q. SHEN AND L. MA 79 Influence of Magic Angle Spinning on Sample Temperature A.-R. GRIMMER, A. KRETSCHMER AND V. B. CAJIPE Determination of Homonuclear Scalar Coupling Constants by Combining Selective Two- Dimensional NMR Spectroscopy with Convolution and Deconvolution: Applications to Paclitaxel (Taxol) C. PENG, D. JEANNERAT AND G. BODENHAUSEN 91 Reduction of a Nitroxide Spin Label by Native and Partially Oxidized Human Low-Density Lipoprotein P. K. WITTING AND R. STOCKER 100 170 NMR Spectra of Divinyl Ethers E. TASKINEN 107 NMR Spectroscopic Characterization of Isomeric S-Oxides Derived from o-Lipoic Acid A. MULLER, M. KNAACK AND A. OLBRICH 111 Method Development and Results of Protein Thermal Denaturation Analysis by 'H NMR T. J. HANCOCK AND J. T. HSU 115 ili iv CONTENTS OF VOLUME 35 Electron Spin Resonance and Electrochemical Studies of some Mesoionic and Neutral 1,2,3,4-Oxa- and -Thiatriazoles and their Alkylation Products F. STUHLMANN, G. DOMSCHKE, A. BARTL, A. NEUDECK, A. PETR AND L. OMELKA 124 Spin Trapping Chemistry of Iminyl Free Radicals E. G. JANZEN AND D. E. NUTTER 131 81Br/"Br Induced °C Isotope Shift and Line Broadening in the “C NMR Spectrum of Methyl Bromide W. T. RAYNES, N. M. SERGEYEV, P. SANDOR AND M. GRAYSON 141 Book Review, 141; Announcement, 146 NUMBER 3 MARCH 1997 1H NMR Chemical Shifts and Coupling Constants for Some 3-Monosubstituted 2-Methylpropenes R. RITTNER, M. E. F. BRAIBANTE, D. G. DE KOWALEWSKI, J. C. PLA AND E. P. MAZZOLA 147 Rhodium-103 NMR of Carboxylate and Thiolate Complexes by Indirect Detection using Phosphorus L. CARLTON 153 207Pb, 3C and 'H Nuclear Magnetic Resonance Studies of Lead(IV) Carboxylates in Solution T. D. W. CLARIDGE, E. J. NETTLETON AND M. G. MOLONEY 159 Through-Space 7Jyy and °J-, Spin-Spin Couplings in 2’,3’-dideoxy-4’-fluoroalkylnucleosides. The Role of Sugar Ring Conformation and Solvent Effect 168 A. MELE, G. SALANI, F. VIANI AND P. BRAVO Stereochemical Study of a Bradicardisant Benzazepin Type Drug. X-Ray Structure of the Chloride Salt and High-Field NMR Study of the Stereochemistry in Solution D. DUVAL, P. HENNIG, J. P. BOUCHET, J. VIAN, J. L. PEGLION, J. P. VOLLAND, N. PLATZER AND J. GUILHEM 175 Conformations of Anaesthetic Steroids: A ‘H and *C NMR Study of (2B,30,,5a)-2-[(2R)-2-Ethyl-4- morpholinyl]-3-hydroxypregnane-11,20-dione and (26,30,5a)-2-[(2S)-2-Ethyl-4-morpholinyl]-3- hydroxypregnane-11,20-dione L. FIELDING, N. HAMILTON AND R. McGUIRE 14 NMR Characterisations of 3,6-Dioxa-8-azabicyclo[3.2.1Joctanes and N-[Tris(hydroxymethyl)- methyljalanine Formed from Methylglyoxal in Tris Buffer Solutions W. A. BUBB 191 Heteronuclear Edited Gradient Selected 1D and 2D NOE Spectra: Determination of the NOE Effect Between Chemically Equivalent Protons R. WAGNER AND S. BERGER 199 Notes NMR Studies on a New Type of Sugar Isourea Ethers G. TOTH, I. PINTER, J. KOVACS AND R. HAESSNER 203 Reference Data Discrimination of Structural Isomers of N-Methylated and N-tert-Butylated Tetrazoles by “C and 15SN NMR. Long-Range N,'H Coupling Constants 209 N. N. SVESHNIKOV AND J. H. NELSON Complete “C NMR Assignment of the Dental Adhesive Monomer 4-Methacryloyloxyethyl Trimellitate Anhydride and its Hydrate S. ITO AND S. FUJISAWA 213 NUMBER 4 APRIL 1997 19F,3C Correlations in a Highly Fluorinated Alkyl Chain and Coupling Constant Signs at the Fluorocarbon/Hydrocarbon Interface 215 A. A. RIBEIRO CONTENTS OF VOLUME 35 A Lithium-6 CP/MAS Standard G. H. PENNER AND J. HUTZAL 222 Structural NMR Studies on Aryl-Substituted 12-Allyl-Pd(iI) Complexes by Concerted use of Gradient-Based Experiments R. MALET, M. MORENO-MANAS, F. PAJUELO, T. PARELLA AND R. PLEIXATS 227 NMR Studies of the Equilibria Produced by 6- and 8-Substituted Tetrazol[1,5-a]pyridines P. CMOCH, L. STEFANIAK AND G. A. WEBB 237 Effect of a Libration or Hopping Motion of the n?-Dihydrogen Ligand on Longitudinal Nuclear Magnetic Resonance Relaxation R. H. MORRIS AND R. J. WITTEBORT 243 Structure and Stereochemistry of Pyrazolines, Precursors to gem-Dimethyicyclopropane M.-T. MARTIN, R. GHARBI, A. KHEMISS AND Z. MIGHRI 251 Optimisation of Liquid Chromatography-NMR Spectroscopy. II—Saturation and Flow in On-Fiow Liquid Chromatography-NMR Spectroscopy L. GRIFFITHS 257 Solvent-Induced Effects on the Nitrogen NMR Shieldings of Some Nitrosobenzene Systems M. WITANOWSKI, Z. BIEDRZYCKA, W. SICINSKA AND G. A. WEBB 262 Conformational Studies and Stereochemical Assignment of a Bicyclic Lactam-Containing Peptide Fragment by Two-Dimensional NMR Spectroscopy J. KAO, W. LI AND K. D. MOELLER 267 Lanthanide-Crown Ether Mixtures as Chiral NMR Shift Reagents for Amino Acid Esters, Amines, and Amino Alcohols S. E. WEINSTEIN, M. S. VINING AND T. J. WENZEL 273 Book Review, 281; Announcements, 282 NUMBER 5 MAY 1997 Conformational Analysis of Crown Ether Analogs in Solution: cis-Cyclohexyl-10-crown-3 as Studied via Low-Temperature 'H and °C NMR Spectroscopy G. W. BUCHANAN, M. GERZAIN AND K. BOURQUE 283 Computer Simulations of the Goldman-Shen Experiment: Evaluation of Techniques for Minimizing the Influence of Spin-Lattice Relaxation S. FRIEBEL, R. K. HARRIS AND A. M. KENWRIGHT 290 Determination of Configuration at the Biaryl Axes of Naphthylisoquinoline Alkaloids by Long- Range NOE Effects G. BRINGMANN, D. KOPPLER, D. SCHEUTZOW AND A. PORZEL 297 Separation of a Pair of Interleaved Sideband Families in Magic Angle Spinning NMR by a Pair of One-Dimensional Experiments 302 S. C. SHEKAR AND J. A. HAMILTON Nuclear Magnetic Resonance Investigations of the Azo-Hydrazone Tautomerism of Azoreactive Dye Chromophores C. SZANTAY JR, Z. CSEPREGI, P. ARANYOSI, I. RUSZNAK, L. TOKE AND A. VIG NMR of Enaminones. Part 3. 'H, °C and ‘70 NMR Spectroscopic Studies of Acyclic and Cyclic N-Aryl Enaminones: Substituent Effects and Intramolecular Hydrogen Bonding J.-C. ZHUO 311 Rotational Barriers and '5N Chemical Shifts of N-Acyl-N-Alkyl-Substituted Amino Acids T. OZAWA, Y. ISODA, H. WATANABE, T. YUZURI, H. SUEZAWA, K. SAKAKIBARA AND H. HIROTA 323 Notes The Double tert-Butyl Rotation in Solid cis-2-tert-Butyl-5-(tert-butylsulphony])-1,3-dioxane F. G. RIDDELL AND M. ROGERSON 333 vi CONTENTS OF VOLUME 35 1H NMR Spectroscopic Studies of the Stability of an Oxazolidine Condensation Product G. P. MOLONEY, M. N. ISKANDER AND D. J. CRAIK 337 Reference Data 1H and 3C NMR Spectra of Pyrido[2,3-b]pyrazines and Pyrido[2,3-b]pyrazine-N-oxides S. PROVERA, C. MARCHIORO, S. DAVALLI AND N. CASE 342 13C NMR Spectral Assignments of Some Cyclopentyl Uracils and 5-Halouracils M. TEUJEIRA AND E. URIARTE NUMBER 6 JUNE 1997 Experimental and Theoretical Study of the Ethoxy Group Conformational Effect on “C Chemical Shifts in Ortho-Substituted Phenetols D. G. DE KOWALEWSKI, V. J. KOWALEWSKI, E. BOTEK, R. H. CONTRERAS AND J. C. FACELLI 351 Muonium Adducts of the Nitro Group: Muoxynitroxides C. J. RHODES, H. MORRIS, C. A. SCOTT, I. D. REID AND E. RODUNER 357 119Sn Solid State NMR of Tin Sulfides. Evidence of Polytypism in SnS, 363 T. PIETRASS AND F. TAULELLE Structure Elucidation of the Photooxygenation Products of 1,2-Dihydronaphthalenes G. TOTH, T. LINKER AND F. REBIEN 367 Conformational Studies of Some t(4)-Acetoxy-r(2),c(6)-diphenyl-N-acetylpiperidines Using 'H NMR Spectra. Evidence for Contribution of Boat Forms with a Substituent in the Flagpole Position K. PANDIARAJAN, A. MANIMEKALAI AND N. KALAISELVI 372 Measurements of Long-Range Homonuclear Coupling Constants L. MAHI AND J. C. DUPLAN 379 Radical Anions and Radical Trianions of a Phosphabenzene and Some Diphospha Derivatives of Biphenyl, p-Terpheny! and p,p’-Quaterphenyl: an ESR and ENDOR Study F. GERSON, P. MERSTETTER, S. PFENNINGER AND G. MARKL 1H NMR Study of Conformational Differences in 3-tert-Butyldimethylsiloxy- and 9-Methyl-8-oxa-9- azabicyclo[3.2.2]non-6-en-3-ol Intermediates for Bridgehead Hydroxylated Tropane Alkaloid Derivatives 389 R. GLASER, G. J. TARRANT AND J. B. BREMNER Chiral NMR Shift Reagents: Mixtures of Lanthanide Tris (8-Diketonates) with Chiral Carboxylate ny:— A. C. BEAN AND S. L. DUNHAM ) 395 Application of the ‘Singular Value Decomposition’ Method for the Quantitative Interpretation of the NMR Spectra of Paramagnetic Compounds H. REDDMANN 403 Notes Structure Determination for O-Methyllaureolol from Skimmia Laureola ssp. Multinervia by 2D HMOQC and HMBC Techniques H.-J. ZHANG, M.-Z. ZHANG AND X.-F. GAO 410 1H and “C NMR Data for 3-0-, 4-O- and 3,4-Di-O-glycosylated Methyl] -L-Rhamnopyranosides E. A. KHATUNTSEVA, A. S. SHASHKOV AND N. E. NIFANT’EV 414 Short Communication 1H Multiple-Pulse Solid-State NMR Investigations of Electrically Oriented Liquid Crystals P. HOLSTEIN, A. C. D. LOPES, J. RAUCHFUSS AND D. GESCHKE 420 Reference Data Total Assignment of the ‘H and “C NMR Chemical Shifts of Three Bisabolane Hydrocarbons by 2D-NMR Spectroscopy L.-K. SY AND G. D. BROWN 424 Announcement, 426 CONTENTS OF VOLUME 35 Vii NUMBER 7 JULY 1997 Solid-State “C CP/MAS NMR Investigations of EDTA-Metal Complexes T. M. ALAM AND R. A. ASSINK 427 NMR of Enaminones. Part 4—!70 NMR Study of 2,2-Diacylenamines J.-C. ZHUO 432 Complete Assignment of the 'H and C NMR Spectra of Steroidal Sapogenins: Smilagenin and Sarsasapogenin P. K. AGRAWAL, P. BUNSAWANSONG AND G. A. MORRIS dat 31P NMR Studies of Isoprenoid Polyphosphate Acid-Base Equilibria M. G. SWANSON, J. M. ROBERT, R. K. KELLER AND P. BANGALORE 447 Complete Assignment of 'H and °C NMR Spectra of trans- and cis-Myrtanol K.-Y. KIM AND S.-G. LEE 451 Comparison of C Resolution and Sensitivity of HSQC and HMQC Sequences and Application of HSQC-Based Sequences to the Total 'H and °C Spectral Assignment for Clionasterol W. F. REYNOLDS, S. MCLEAN, L.-L. TAY, M. YU, R. G. ENRIQUEZ, D. M. ESTWICK AND K. O. PASCOE 455 Complete Spectral Analysis of the 1H NMR 16-Spin System of B-Pinene E. KOLEHMAINEN, K. LAIHIA, R. LAATIKAINEN, J. VEPSALAINEN, M. NIEMITZ AND R. SUONTAMO 463 New Form of Rational Function in NMR Lineshape Fitting: Application to Four Overlapping Resonances from a Three-Spin System D. E. ROBERTS, Y. Z. WU, R. YUSAF, J. HIGINBOTHAM, A. J. SHAND AND I. C. MALCOLM 19F NMR Studies of the Recombinant Human Transferrin N-Lobe and Three Single Point Mutants L. A. LUCK, A. B. MASON, K. J. SAVAGE, R. T. A.M ACGILLIVRAY AND R. C. WOODWORTH 477 NMR Studies of Substituted 2,3-Diaminopropenoates 482 §. G. GRDADOLNIK AND B. STANOVNIK Vanadocene as a Temperature Standard for *C and 'H MAS NMR and for Solution-State NMR Spectroscopy 487 F. H. KOHLER AND X. XIE NUMBER 8 AUGUST 1997 Matched Spin Probes for the Study of the Overall Motion of Model Lubricants M. M. BRITTON, S. A. FAWTHROP, D. G. GILLIES, L. H.S UTCLIFFE, X. WU AND A. I. SMIRNOV 493 Phase Modulation in APT Spectra for ABX Patterns 502 G. E. BIGAM, R. E. D. McCLUNG, T. T. NAKASHIMA, C. M. ANGELOV AND R. G. CAVELL Investigation of the Advantages and Limitations of Forward Linear Prediction for Processing 2D Data Sets W. F. REYNOLDS, M. YU, R. G. ENRIQUES AND I. LEON 505 Deuterium Isotope Effects on “C Chemical Shifts of o-Hydroxy Acylaromatics. Intramolecular Hydrogen Bonding P. E. HANSEN AND S. BOLVIG 520 Complete 'H and °C Assignments of the Oligosaccharide Antibiotic Sch 27899 529 T.-M. CHAN, R. M. OSTERMAN, J. B.M ORTON AND A. K. GANGULY N,N-Disubstituted a-Amino-a,f-unsaturated Aldehydes and their Derivatives: 'H and “C NMR Study 533 A. YU. RULEV, A. S. MOKOV, L. B. KRIVDIN, N. A. KEIKO AND M. G. VORONKOV Notes Revised 'H and °C NMR Assignment of Polyene Antibiotic Filipin I 538 P. ROCHET AND J.-M. LANCELIN Viii CONTENTS OF VOLUME 35 Polynuclear Magnetic Resonance of Substituted Thiobenzanilides and Benzanilides: Transmission of Substituent Effects Through the Thiocarboxamide Group K. WAISSER, J. KUNES, L. KUBICOVA, M. BUDESINSKY AND O. EXNER 543 1H and 3C NMR Spectroscopy of Substituted Tris-1,3,4-oxadiazoles H. TASHTOUSH, R. SUBAIHI AND M. AL-TALIB 549 13C NMR Study of Dihydropyrimidinedione and Dihydropyrimidin-2-thione Derivatives K. BERESNEVICIUTE, Z. BERESNEVICIUS, G. MIKULSKIENE, J. KIHLBERG AND J. BRODDEFALK 553 18 and §C Chemical Shifts of Some Tetracyclic Acridinone Derivatives S. MOREL, J. P. GALY AND R. FAURE 556 NUMBER 9 SEPTEMBER 1997 Selectively “C-Enriched DNA: Dynamics of the C1’H1’ or CS5’HS” Vectors in d(CGCAAATTTGCG), F. GAUDIN, L. CHANTELOUP, N. T. THUONG AND G. LANCELOT 561 EPR and ENDOR on Chlorin Anion and Cation Radicals: Electronic Structure of Models for Photosynthetic Electron Transfer M. FUHS, H. MOBLER AND M. HUBER Synthesis of Propiolamide and 'H, “C and “N NMR Spectra of Formamide, Acetamide and Propiolamide T. D. FERRIS, P. T. LEE AND T. C. FARRAR 571 The Origin of the Difference Between the °C and '’0 Shift Behaviour of Carbonyl Compounds RCOX: Ab initio Calculation of the Shielding Tensors H. DAHN AND P.-A. CARRUPT 577 179 NMR Spectra of Carbonyl Compounds ArCOX: The Influence of Groups X on the Polarity of the Carbonyl Group H. DAHN, P. PECHY AND V. VAN TOAN 589 Triangular Sampling of Multidimensional NMR Data Sets K. AGGARWAL AND M. A. DELSUC 593 Conformational Analysis of Substituted N-Nitroso-trans-decahydroquinolin-4-ones D. NATARAJAN, N. BHAVANI AND A. MANIMEKALAI 597 Carbon-13 NMR Studies of Azolopyridines. 4—The Thizzolopyridine Systems S. CHIMICHI, P. TEDESCHI, S. CALVIETTI AND F. PONTICELLI 601 Hydrogen Bonding Effects on the *\C NMR Chemical Shift Tensors of Some Amino Acids in the Solid State G. ZHENG, L. WANG, J. HU, X. ZHANG, L. SHEN, C. YE AND G. A. WEBB Substituent-Induced 'H Chemical Shifts of 3-Substituted Camphors C. R. KAISER, R. RITTNER AND E. A. BASSO Investigating the Sensitivity Limits of “C-Detected 'H-"C Chemical Shift Correlation Sequences with Modern Microprobe and Microtube Technology W. F. REYNOLDS, M. YU AND R. G. ENRIQUEZ 614 Novel Model Compounds for Photoinduced Electron Transfer: Structures of the Folded Conformers of Zn(il)-Pyropheophytin-Anthraquinone Dyads J. HELEJA, A. Y. TAUBER, I. KILPELAINEN AND P. H. HYNNINEN 619 Side Chain Conformation of the Growth Promoting Phytohormones Brassinolide and 24- Epibrassinolide M. STOLDT, A. PORZEL, G. ADAM AND W. BRANDT 629 Structures of Two Novel Triterpene Saponins from Arenaria filicaulis Boiss. M. H. A. ELGAMAL, H. S. M. SOLIMAN, D. T. ELMUNAJJED, G. TOTH, A. SIMON AND H. DUDDECK 637 CONTENTS OF VOLUME 35 Short Communications Assignment of Carbon-13 and Proton Nuclear Magnetic Resonance Spectra of Madeirane Triterpenes J. R. ASCENSO AND M. J. U. FERREIRA 643 Tripe-Channel Solid-State NMR Investigation of Poly(vinylidene fluoride) Polymorphs P. HOLSTEIN, U. SCHELER AND R. K. HARRIS 647 Reference Data 1H and “C NMR Assignments for 3-, and 8-Episirohydrochlorin Methyl Este R. S. BURKHALTER AND R. TIMKOVICH Complete Assignment of the *C NMR Spectra of Diazinyl-Substituted Ureas and Thioureas G. HEINISCH, P. LUKAVSKY, B. MATUSZCZAK AND D. RAKOWITZ 653 Book Reviews, 656; Papers in Press, 658 NUMBER 10 OCTOBER 1997 29Si NMR Spectra of tert-Butyldimethylsilylated Alcohols J. SCHRAML, M. KVICALOVA, V. BLECHTA AND J. CERMAK 659 Through-Space Transmission of Polar Substituent Effects in the Bicyclo[1.1.1]}pentane Ring System as Monitored by '°Sn NMR Chemical Shifts: a “C and '%Sn NMR Study of 3-Substituted(X)Bicyclo[1.1.1}pent-1-yltrimethyistannanes W. ADCOANCD KA. R. KRSTIC Long-Range Two-Dimensional 'H-5N Heteronuclear Shift Correlation at Natural Abundance Using GHNMOQC. A Study of the Reverse Transcriptase Inhibitor Delavirdine K. A. FARLEY, G. S. WALKER AND G. E. MARTIN 671 P-Type Gradient-Enhanced COSY Experiments Show Lower t,-Noise than N-type T. J. HORNE AND G. A. MORRIS EPR and NMR Studies of Fe(1)-NO Complexes and Their Relevance in Biological and Environmental Processes M. BRANCA, N. CULEDDU, M. FRUIANU, N. MARCHETTINI AND E. TIEZZI Structural and Conformational Study of Macrocyclic Polyethers by NMR and Molecular Modeling A. PHILIPPON, M. LAGUERRE, M. PETRAUD AND I. PIANET 691 Regioselective Addition in Aniline to 8H-Pyrido[2,3,4-mn]acridinone: Structure Determination of the Reaction Product N. FIXLER, M. DEMEUNYNCK, M. C. BROCHIER, J. GARCIA AND J. LHOMME Gas Bubbles in the NMR Tube: An Easy Way to Investigate Reactions with Gases in the Liquid Phase W. BAUMANN, S. MANSEL, D. HELLER AND S. BORNS 701 Sign Determination of Coupling Constants in CF,H and CF, Derivatives of Silver(I) R. EUJEN AND B. HOGE 707 1H and 'C NMR Spectra and One-Bond “C,“C Coupling Constants of (E)-2-Alken-4-yn-1-oles, (E)-2-Alken-4-yn-1-yl Acetates, and (£)-2-Alken-4-yn-1-als H. POLESCHNER AND M. HEYDENREICH 712 Note 17 NMR Spectra of 2-Phenylmethylene Cyclic Ketones J.-C. ZHUO 717 NUMBER 11 NOVEMBER 1997 NMR and Computational Study on the Anomeric Effect in cis/trans-3,4-Dihydro-2-alkoxy-4- substituted-2H,5H-pyrano[3,2-c][1]benzopyran-5-one Derivatives R. ANNUNZIATA, L. RAIMONDI, G. M. NANO, G. PALMISANO AND S. TAGLIAPIETRA 721 X CONTENTS OF VOLUME 35 Structural Assignment of a Molybdenum-Containing Silsesquioxane which Catalyzes the Metathesis of Olefins: DPFGSE-NOE and X-Ray Diffraction Studies F. J. FEHER, T.-L. HWANG, J. J. SCHWAB, A. J. SHAKA AND J. W. ZILLER 730 The Geometrical Imprint Domain: A 1D and 2D Spectra Editing Tool in Refocused-Decoupled INEPT Experiments for Structural Analysis of Silylated and Acetylated Glycosides L. POUYSEGU, M. HARKET, B. DE JESO, J. C. LARTIGUE, M. PETRAUD AND M. RATIER 735 Investigation of the Paramagnetic Domain of Putidaredoxin by Nitrogen-15 NMR Spectroscopy B. COXON, N. SARI, M. J. HOLDEN AND V. L. VILKER 743 1H-{125Te} Indirect Detection in Nuclear Magnetic Resonance Spectra of Organotellurium Compounds T. B. SCHROEDER, C. JOB, M. F. BROWN, R. S. GLASS, N. YOU AND E. BLOCK 752 Cross-Polarization Dynamics and Proton Dipolar Local Field Measurements in Some Organic Compounds P. REINHEIMER, J. HIRSCHINGER, P. GILARD AND N. GOETZ 757 Water Exchange on Magnesium(II) in Aqueous Solution: a Variable Temperature and Pressure !70 NMR Study 765 A. BLEUZEN, P.-A. PITTET, L. HELM AND A. E. MERBACH Phosphoric Amides. SN NMR Study of the P-N Bonding in Acyclic and Cyclic Compounds A. M. MODRO, T. A. MODRO, P. BERNATOWICZ, W. SCHILF AND L. STEFANIAK 774 NMR Spectral Assignment of Substituted Salicylaldoximes by Inverse Pulse Techniques with z-Gradient Selection: Correlation of NMR Parameters with Substituent Constants E. KOLEHMAINEN, R. GAWINECKI, B. OSMIALOWSKI AND K. TRZEBIATOWSKA 778 Chemical Shifts of Ethylene Carbons in Polyunsaturated Fatty Acids and Related Compounds 785 J. SANDRI, T. SOTO, J.-L. GRAS AND J. VIALA Anion Radicals of Mono- and Bisfunctionalized [60]Fullerene Derivatives. Evidence for °C Satellites in their EPR Spectra V. BREZOVA, A. STASKO, P. RAPTA, D. M. GULDI, K.-D. ASMUS AND K.-P. DINSE 795 Note Total Assignment of 'H and °C Spectra of Two Isomeric Triterpenoids 802 F. J. Q. MONTE, J. P. KINTZINGER AND R. BRAZ-FILHO Reference Data Assignment of the “C NMR Spectra of Some Adenine, Hypoxanthine and Guanine Carbonucleosides M. TEIJJEIRA, L.S ANTANA AND E. URIARTE 13C NMR Data for 7- and/or 9-Azasubstituted Naphthalenecyclolignans M4. A. CASTRO, J. M4. MIGUEL DEL CORRAL, MA. L. LOPEZ-VAZQUEZ, P. A. GARCIA, A. SAN FELICIANO AND M. GORDALIZA NUMBER 12 DECEMBER 1997 Natural Abundance Nitrogen-15 NMR Spectroscopy of Rhodium Complexes by Indirect Detection Using Phosphorus L. CARLTON AND R. WEBER 817 Configurational and Conformational Study of New Esters Derived from 2-Methyl-2-azabicyclo- [2.2.2]octan-5-syn(anti)-ols by NMR spectroscopy and X-ray Crystallography—I M. J. FERNANDEZ, R. HUERTAS, M. S. TOLEDANO, E. GALVEZ, J. SERVER AND M. MARTINEZ-RIPOLL 821 Variable-Temperature NMR Studies of 6-(0-Tolyl)-8-methoxy-1,8-dimethylbicyclo[2.2.2]oct-5-en- 2-ones A. SRIKRISHNA AND S. DANIELDOSS 829