CiNii Books - Instrumentation, methodologies, and theoretical simulations

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.

Table of Contents

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

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Instrumentation, methodologies, and theoretical simulations

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