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Comprehensive Chiroptical Spectroscopy, Volume 1
Instrumentation, Methodologies, and Theoretical Simulations
Nina Berova (Author), Prasad L. Polavarapu (Author), Koji Nakanishi (Author), Robert W. Woody (Author)
9781118012932, Wiley
Hardback, published 12 April 2013
816 pages
26.2 x 18.7 x 4.4 cm, 1.551 kg
This book 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 book 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.
Preface ix Contributors xi Part I Introduction 1 1 On the Interaction of Light with Molecules: Pathways to the Theoretical Interpretation of ChiropticalPhenomena 3 Part II Experimental Methods and Instrumentation 35 2 Measurement of the Circular Dichroism of Electronic Transitions 37 3 Circularly Polarized Luminescence Spectroscopy and Emission-detected Circular Dichroism 65 4 Solid-state Chiroptical Spectroscopy: Principles and Applications 91 5 Infrared Vibrational Optical Activity: Measurement and Instrumentation 115 6 Measurement of Raman Optical Activity 147 7 Nanosecond Time-resolved Natural and Magnetic Chiroptical Spectroscopies 179 8 Femtosecond Infrared Circular Dichroism and Optical Rotatory Dispersion 203 9 Chiroptical Properties of Lanthanide Compounds in an Extended Wavelength Range 221 10 Near-infrared Vibrational Circular Dichroism: NIR-VCD 247 11 Optical Rotation and Intrinsic Optical Activity 275 12 Chiroptical Imaging of Crystals 325 13 Nonlinear Optical Spectroscopy of Chiral Molecules 347 14 In Situ Measurement of Chirality of Molecules and Molecular Assemblies with Surface NonlinearSpectroscopy 373 15 Photoelectron Circular Dichroism 407 16 Magnetochiral Dichroism and Birefringence 433 17 X-ray Detected Optical Activity 457 18 Linear Dichroism 493 19 Electro-optical Absorption Spectroscopy 525 Part III Theoretical Simulations 541 20 Independent Systems Theory for Predicting Electronic Circular Dichroism 543 21 Ab Initio Electronic Circular Dichroism and Optical Rotatory Dispersion: From Organic Molecules toTransition Metal Complexes 593 22 Theoretical Electronic Circular Dichroism Spectroscopy of Large Organic and SupramolecularSystems 643 23 High-accuracy Quantum Chemistry and Chiroptical Properties 675 24 Ab Initio Methods for Vibrational Circular Dichroism and Raman Optical Activity 699 25 Modeling of Solvation Effects on Chiroptical Spectra 729 26 Complexation, Solvation, and Chirality Transfer in Vibrational Circular Dichroism 747 Index 783
Georges H. Wagnière
John C. Sutherland
James P. Riehl and Gilles Muller
Reiko Kuroda and Takunori Harada
Laurence A. Nafie
Werner Hug
David S. Kliger, Eefei Chen, and Robert A. Goldbeck
Hanju Rhee and Minhaeng Cho
Lorenzo Di Bari and Piero Salvadori
Sergio Abbate, Giovanna Longhi, and Ettore Castiglioni
Patrick H. Vaccaro
John Freudenthal, Werner Kaminsky, and Bart Kahr
Peer Fischer
Hong-fei Wang
Ivan Powis
G. L. J. A. Rikken
Jose Goulon, Andrei Rogalev, and Christian Brouder
Alison Rodger
Hans-Georg Kuball and Matthias Stolte
Gerhard Raabe, Joerg Fleischhauer, and Robert W. Woody
Jochen Autschbach
Lars Goerigk, Holger Kruse, and Stefan Grimme
T. Daniel Crawford
Kenneth Ruud
Magdalena Pecul
Valentin Paul Nicu and Evert Jan Baerends
Subject Areas: Chemistry [PN]
