Comprehensive Chiroptical Spectroscopy, Volume 1 PREFACE ix CONTRIBUTORS xi PART I INTRODUCTION 1 1 ON THE INTERACTION OF LIGHT WITH MOLECULES: PATHWAYS TO THE THEORETICAL INTERPRETATION OF CHIROPTICAL PHENOMENA 3 Georges H. Wagniere PART II EXPERIMENTAL METHODSANDINSTRUMENTATION 35 2 MEASUREMENT OF THE CIRCULAR DICHROISM OF ELECTRONIC TRANSITIONS 37 John C. Sutherland 3 CIRCULARLY POLARIZED LUMINESCENCE SPECTROSCOPY AND EMISSION-DETECTED CIRCULAR DICHROISM 65 James P. Riehl and Gilles Muller 4 SOLID-STATE CHIROPTICAL SPECTROSCOPY: PRINCIPLES AND APPLICATIONS 91 Reiko Kuroda and Takunori Harada 5 INFRARED VIBRATIONAL OPTICAL ACTIVITY: MEASUREMENT AND INSTRUMENTATION 115 Laurence A. Nafie 6 MEASUREMENT OF RAMAN OPTICAL ACTIVITY 147 Werner Hug 7 NANOSECOND TIME-RESOLVED NATURAL AND MAGNETIC CHIROPTICAL SPECTROSCOPIES 179 David S. Kliger, Eefei Chen, and Robert A. Goldbeck 8 FEMTOSECOND INFRARED CIRCULAR DICHROISM AND OPTICAL ROTATORY DISPERSION 203 Hanju Rhee and Minhaeng Cho 9 CHIROPTICAL PROPERTIES OF LANTHANIDE COMPOUNDS IN AN EXTENDED WAVELENGTH RANGE 221 Lorenzo Di Bari and Piero Salvadori 10 NEAR-INFRARED VIBRATIONAL CIRCULAR DICHROISM: NIR-VCD 247 Sergio Abbate, Giovanna Longhi, and Ettore Castiglioni 11 OPTICAL ROTATION AND INTRINSIC OPTICAL ACTIVITY 275 Patrick H. Vaccaro 12 CHIROPTICAL IMAGING OF CRYSTALS 325 John Freudenthal, Werner Kaminsky, and Bart Kahr 13 NONLINEAR OPTICAL SPECTROSCOPY OF CHIRAL MOLECULES 347 Peer Fischer 14 IN SITU MEASUREMENT OF CHIRALITY OF MOLECULES AND MOLECULAR ASSEMBLIES WITH SURFACE NONLINEAR SPECTROSCOPY 373 Hong-fei Wang 15 PHOTOELECTRON CIRCULAR DICHROISM 407 Ivan Powis 16 MAGNETOCHIRAL DICHROISM AND BIREFRINGENCE 433 G. L. J. A. Rikken 17 X-RAY DETECTED OPTICAL ACTIVITY 457 Jose Goulon, Andrei Rogalev, and Christian Brouder 18 LINEAR DICHROISM 493 Alison Rodger 19 ELECTRO-OPTICAL ABSORPTION SPECTROSCOPY 525 Hans-Georg Kuball and Matthias Stolte PART III THEORETICAL SIMULATIONS 541 20 INDEPENDENT SYSTEMS THEORY FOR PREDICTING ELECTRONIC CIRCULAR DICHROISM 543 Gerhard Raabe, Joerg Fleischhauer, and Robert W. Woody 21 AB INITIO ELECTRONIC CIRCULAR DICHROISM AND OPTICAL ROTATORY DISPERSION: FROM ORGANIC MOLECULES TO TRANSITION METAL COMPLEXES 593 Jochen Autschbach 22 THEORETICAL ELECTRONIC CIRCULAR DICHROISM SPECTROSCOPY OF LARGE ORGANIC AND SUPRAMOLECULAR SYSTEMS 643 Lars Goerigk, Holger Kruse, and Stefan Grimme 23 HIGH-ACCURACY QUANTUM CHEMISTRY AND CHIROPTICAL PROPERTIES 675 T. Daniel Crawford 24 AB INITIO METHODS FOR VIBRATIONAL CIRCULAR DICHROISM AND RAMAN OPTICAL ACTIVITY 699 Kenneth Ruud 25 MODELING OF SOLVATION EFFECTS ON CHIROPTICAL SPECTRA 729 Magdalena Pecul 26 COMPLEXATION, SOLVATION, AND CHIRALITY TRANSFER IN VIBRATIONAL CIRCULAR DICHROISM 747 Valentin Paul Nicu and Evert Jan Baerends INDEX 783 Comprehensive Chiroptical Spectroscopy, Volume 2 PREFACE xi CONTRIBUTORS xiii PART I A HISTORICAL OVERVIEW 1 1 THE FIRST DECADES AFTER THE DISCOVERY OF CD AND ORD BY AIME COTTON IN 1895 3 Peter Laur PART II ORGANIC STEREOCHEMISTRY 37 2 SOME INHERENTLY CHIRAL CHROMOPHORES-EMPIRICAL RULES AND QUANTUM CHEMICAL CALCULATIONS 39 Marcin Kwit, Pawel Skowronek, Jacek Gawronski, Jadwiga Frelek, Magdalena Woznica, and Aleksandra Butkiewicz 3 ELECTRONIC CD OF BENZENE AND OTHER AROMATIC CHROMOPHORES FOR DETERMINATION OF ABSOLUTE CONFIGURATION 73 Tibor Kurtan, Sandor Antus, and Gennaro Pescitelli 4 ELECTRONIC CD EXCITON CHIRALITY METHOD: PRINCIPLES AND APPLICATIONS 115 Nobuyuki Harada, Koji Nakanishi, and Nina Berova 5 CD SPECTRA OF CHIRAL EXTENDED p -ELECTRON COMPOUNDS: THEORETICAL DETERMINATION OF THE ABSOLUTE STEREOCHEMISTRY AND EXPERIMENTAL VERIFICATION 167 Nobuyuki Harada and Shunsuke Kuwahara 6 ASSIGNMENT OF THE ABSOLUTE CONFIGURATIONS OF NATURAL PRODUCTS BY MEANS OF SOLID-STATE ELECTRONIC CIRCULAR DICHROISM AND QUANTUM MECHANICAL CALCULATIONS 217 Gennaro Pescitelli, Tibor Kurtan, and Karsten Krohn 7 DYNAMIC STEREOCHEMISTRY AND CHIROPTICAL SPECTROSCOPY OF METALLO-ORGANIC COMPOUNDS 251 James W. Canary and Zhaohua Dai 8 CIRCULAR DICHROISM OF DYNAMIC SYSTEMS: SWITCHING MOLECULAR AND SUPRAMOLECULAR CHIRALITY 289 Angela Mammana, Gregory T. Carroll, and Ben L. Feringa 9 ELECTRONIC CIRCULAR DICHROISM OF SUPRAMOLECULAR SYSTEMS 317 Cheng Yang and Yoshihisa Inoue 10 THE ONLINE STEREOCHEMICAL ANALYSIS OF CHIRAL COMPOUNDS BY HPLC-ECD COUPLING IN COMBINATION WITH QUANTUM-CHEMICAL CALCULATIONS 355 Gerhard Bringmann, Daniel Gotz, and Torsten Bruhn 11 DETERMINATION OF THE STRUCTURES OF CHIRAL NATURAL PRODUCTS USING VIBRATIONAL CIRCULAR DICHROISM 387 Prasad L. Polavarapu 12 DETERMINATION OF MOLECULAR ABSOLUTE CONFIGURATION: GUIDELINES FOR SELECTING A SUITABLE CHIROPTICAL APPROACH 421 Stefano Superchi, Carlo Rosini, Giuseppe Mazzeo, and Egidio Giorgio PART III INORGANIC STEREOCHEMISTRY 449 13 APPLICATIONS OF ELECTRONIC CIRCULAR DICHROISM TO INORGANIC STEREOCHEMISTRY 451 Sumio Kaizaki PART IV BIOMOLECULES 473 14 ELECTRONIC CIRCULAR DICHROISM OF PROTEINS 475 Robert W. Woody 15 ELECTRONIC CIRCULAR DICHROISM OF PEPTIDES 499 Claudio Toniolo, Fernando Formaggio, and Robert W. Woody 16 ELECTRONIC CIRCULAR DICHROISM OF PEPTIDOMIMETICS 545 Claudio Toniolo and Fernando Formaggio 17 CIRCULAR DICHROISM SPECTROSCOPY OF NUCLEIC ACIDS 575 Jaroslav Kypr, Iva Kejnovska, Klara Bednarova, and Michaela Vorlickova 18 ELECTRONIC CIRCULAR DICHROISM OF PEPTIDE NUCLEIC ACIDS AND THEIR ANALOGUES 587 Roberto Corradini, Tullia Tedeschi, Stefano Sforza, and Rosangela Marchelli 19 CIRCULAR DICHROISM OF PROTEIN-NUCLEIC ACID INTERACTIONS 615 Donald M. Gray 20 DRUG AND NATURAL PRODUCT BINDING TO NUCLEIC ACIDS ANALYZED BY ELECTRONIC CIRCULAR DICHROISM 635 George A. Ellestad 21 PROBING HSA AND AGP DRUG-BINDING SITES BY ELECTRONIC CIRCULAR DICHROISM 665 Miklos Simonyi 22 CONFORMATIONAL STUDIES OF BIOPOLYMERS, PEPTIDES, PROTEINS, AND NUCLEIC ACIDS. A ROLE FOR VIBRATIONAL CIRCULAR DICHROISM 707 Timothy A. Keiderling and Ahmed Lakhani 23 STRUCTURE AND BEHAVIOR OF BIOMOLECULES FROM RAMAN OPTICAL ACTIVITY 759 Laurence D. Barron and Lutz Hecht 24 OPTICAL ROTATION, ELECTRONIC CIRCULAR DICHROISM, AND VIBRATIONAL CIRCULAR DICHROISM OF CARBOHYDRATES AND GLYCOCONJUGATES 795 Tohru Taniguchi and Kenji Monde 25 ELECTRONIC CIRCULAR DICHROISM IN DRUG DISCOVERY 819 Carlo Bertucci and Marco Pistolozzi INDEX 843
