Advances in chiroptical methods

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.

Volume 1. I. Introduction. On the interaction of light with molecules: pathways to the theoretical interpretation of chiroptical phenomena. II. Experimental methods and instrumentation. Measurement of the circular dichroism of electronic transitions. Circularly polarized luminescence spectroscopy and emission-detected circular dichroism. Solid-state chiroptical spectroscopy: principles and applications. Infrared vibrational optical activity: measurement and instrumentation. Measurement of Raman optical activity. Nanosecond time-resolved natural and magnetic chiroptical spectroscopies. Femtosecond infrared circular dichroism and optical rotatory dispersion. Chiroptical properties of lanthanide compounds in an extended wavelength range. Near-infrared vibrational circular dichroism: NIR-VCD. Optical rotation and intrinsic optical activity. Chiroptical imaging of crystals. Nonlinear optical spectroscopy of chiral molecules. In situ measurement of chirality of molecules and molecular assemblies with surface nonlinear spectroscopy. Photoelectron circular dichroism. Magnetochiral dichroism and birefringence. X-ray detected optical activity. Linear dichroism. Electro-optical absorption spectroscopy. III. Theoretical simulations. Independent systems theory for predicting electronic circular dichroism. Ab initio electronic circular dichroism and optical rotatory dispersion: from organic molecules to transition metal complexes. Theoretical electronic circular dichroism spectroscopy of large organic and supramolecular systems. High-accuracy quantum chemistry and chiroptical properties. Ab initio methods for vibrational circular dichroism and Raman optical activity. Modeling of solvation effects on chiroptical spectra. Complexation, solvation, and chirality transfer in vibrational circular dichroism. Index. Volume 2. I. A historical overview. The first decades after the discovery of CD and ORD by aime cotton in 1895. II. Organic stereochemistry. Some inherently chiral chromophores-empirical rules and quantum chemical calculations. Electronic CD of benzene and other aromatic chromophores for determination of absolute configuration. Electronic CD exciton chirality method: principles and applications. CD spectra of chiral extended p-electron compounds: theoretical determination of the absolute stereochemistry and experimental verification. Assignment of the absolute configurations of natural products by means of solid-state electronic circular dichroism and quantum mechanical calculations. Dynamic stereochemistry and chiroptical spectroscopy of metallo-organic compounds. Circular dichroism of dynamic systems: switching molecular and supramolecular chirality. Electronic circular dichroism of supramolecular systems. The online stereochemical analysis of chiral compounds by HPLC-ECD coupling in combination with quantum-chemical calculations. Determination of the structures of chiral natural products using vibrational circular dichroism. Determination of molecular absolute configuration: guidelines for selecting a suitable chiroptical approach. III. Inorganic stereochemistry. Applications of electronic circular dichroism to inorganic stereochemistry. IV. Biomolecules. Electronic circular dichroism of proteins. Electronic circular dichroism of peptides. Electronic circular dichroism of peptidomimetics. Circular dichroism spectroscopy of nucleic acids. Electronic circular dichroism of peptide nucleic acids and their analogues. Circular dichroism of protein-nucleic acid interactions. Drug and natural product binding to nucleic acids analyzed by electronic circular dichroism. Probing HSA and AGP drug-binding sites by electronic circular dichroism. Conformational studies of biopolymers, peptides, proteins and nucleic acids. A role for vibrational circular dichroism. Structure and behavior of biomolecules from Raman optical activity. Optical rotation, electronic circular dichroism and vibrational circular dichroism of carbohydrates and glycoconjugates. Electronic circular dichroism in drug discovery. Index.