Comprehensive Chiroptical Spectroscopy, Volume 1 (eBook)

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