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This two-volume set provides an introduction to the important methods of chiroptical spectroscopy in general, and circular dichroism (CD) in particular, which are increasingly important in all areas of chemistry, biochemistry, and structural biology. The set can be used as a text for undergraduate and graduate students and as a reference for researchers in academia and industry, with or without the companion volume in this set. Experimental methods and instrumentation are described with topics ranging from the most widely used methods (electronic and vibrational CD) to frontier areas such as…mehr
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This two-volume set provides an introduction to the important methods of chiroptical spectroscopy in general, and circular dichroism (CD) in particular, which are increasingly important in all areas of chemistry, biochemistry, and structural biology. The set can be used as a text for undergraduate and graduate students and as a reference for researchers in academia and industry, with or without the companion volume in this set. Experimental methods and instrumentation are described with topics ranging from the most widely used methods (electronic and vibrational CD) to frontier areas such as nonlinear spectroscopy and photoelectron CD, as well as the theory of chiroptical methods and techniques for simulating chiroptical properties. Each chapter is written by one or more leading authorities with extensive experience in the field.
Produktdetails
- Produktdetails
- Verlag: Wiley & Sons
- 1. Auflage
- Seitenzahl: 1840
- Erscheinungstermin: 31. Dezember 2014
- Englisch
- Abmessung: 262mm x 185mm x 91mm
- Gewicht: 3123g
- ISBN-13: 9780470641354
- ISBN-10: 0470641355
- Artikelnr.: 32309819
- Verlag: Wiley & Sons
- 1. Auflage
- Seitenzahl: 1840
- Erscheinungstermin: 31. Dezember 2014
- Englisch
- Abmessung: 262mm x 185mm x 91mm
- Gewicht: 3123g
- ISBN-13: 9780470641354
- ISBN-10: 0470641355
- Artikelnr.: 32309819
Nina Berova is a Research Professor in the Department of Chemistry at Columbia University. She has been a coeditor of the journal Chirality (Wiley) since 1998. Prasad L. Polavarapu is currently a Professor of Chemistry at Vanderbilt University. Koji Nakanishi is one of the world's leading natural products chemists and was editor of the journal, The Chemical Record (Wiley). He retired from Columbia University in 2007, but continues to conduct research. Robert W. Woody is an Emeritus Professor at Colorado State University.
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
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
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
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