Introduction To Stereochemistry And Conformational Analysis

Organic Conformational Analysis and Stereochemistry from Circular Dichroism Spectroscopy

A unique guide to variable temperature CD spectroscopy and its application in organic chemistry This timely, original, thought-provoking work looks at organic stereochemistry from the perspective of circular dichroism (CD), using variable temperature CD spectroscopy to determine the conformation or absolute configuration of chiral molecules. With an emphasis on the analysis of optically active ketones and the carbonyl chromophore, the authors demonstrate the advantages of this highly sensitive spectroscopic tool for obtaining stereochemical information in diverse areas of organic chemistry, biochemistry, and medicinal/pharmaceutical chemistry. They combine detailed examples of stereochemical analysis with clear, thorough presentations, correlating chiroptical data with molecular mechanics calculations as well as data from NMR spectroscopy and other spectroscopic techniques. In addition, they provide a systematic survey of the professional literature, featuring an extraordinary collection of original CD spectra run at varying temperatures. Coverage includes: * Chiroptical measurements: CD and ORD (Optical Rotatory Dispersion) * Conformational analysis of compounds ranging from simple cyclic ketones to polycyclics * Conjugated and homoconjugated systems * Stereochemistry of the carbon-carbon double bond * Stereochemistry from exciton coupling of two or more chromophores * An interesting historical account of the development of stereochemical concepts

Conformational Analysis of Polymers

Conformational Analysis of Polymers Comprehensive resource focusing on theoretical methods and experimental techniques to analyze physical polymer chemistry Connecting varied issues to demonstrate the impact on areas like biodegradability, environmental friendliness, structure-property relationship, and molecular design, Conformational Analysis of Polymers introduces theoretical methods and experimental techniques to analyze physical polymer chemistry. Opening with a description of fundamental concepts and then describing the conformational characteristics of various polymers, including different heteroatoms and chemical species, the text continues onto the applications of density functional theory (DFT) to polymer crystals and structure-property relationships. The book concludes by bringing these issues together to demonstrate their practical impact on different areas of the field. Various methods and techniques, including DFT, statistical mechanics, NMR, spectroscopy, and molecular orbital theory, are also covered. Written by a highly qualified author, Conformational Analysis of Polymers explores sample topics such as: Fundamentals of polymer physical chemistry: stereochemistry of polymers, models for polymeric chains, Flory-Huggins theory, and rubber elasticity Quantum chemistry for polymers: ab initio molecular orbital theory, DFT, NMR parameters, and periodic DFT of polymer crystals Statistical mechanics of polymeric chains: basic rotational isomeric state (RIS) scheme, refined RIS method, inversional-rotational isomeric state method, and probability theory for RIS scheme Experimental techniques: NMR and scattering methods Providing a timely update to the field of chain conformations of synthetic polymers and connecting fundamental theoretical approaches, experimental techniques, and case study applications; Conformational Analysis of Polymers is an essential resource for polymer chemists, physicists, and material scientists, industrial engineers who synthesize and process polymers, and academic researchers.

Elementary Organic Stereochemistry and Conformational Analysis