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. Wagnière
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
