Comprehensive Chiroptical Spectroscopy, 2 Volume SetISBN: 978-0-470-64135-4
Hardcover
1840 pages
December 2014
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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