Structure elucidation in organic chemistry : the search for the right tools / edited by María-Magdalena Cid and Jorge Bravo.

Includes bibliographical references and index.

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Intended for advanced readers, this is a review of all relevant techniques for structure analysis. It provides the latest knowledge on spectroscopic and related techniques for chemical structure analysis, such as NMR, optical spectroscopy, mass spectrometry and X-ray crystallography, including the scope and limitation of each method. As a result, readers not only become acquainted with the techniques, but also the advantages of the synergy between them. This enables them to choose the correct analytical method for each problem, saving both time and resources. Special emphasis is placed on NMR and its application to absolute configuration determination and the analysis of molecular interactions. The authors guarantee both solid methodology and applications essential for structure determination, equipping experts as well as newcomers with the tools to solve any structural problem. -- Edited summary from book.

Interaction of radiation with matter / Ignacio Pérez-Juste and Olalla Nieto Faza -- Computational spectroscopy tools for molecular structure analysis / Cristina Puzzarini and Malgorzata Biczysko -- Absolute configuration and conformational analysis of chiral compounds via experimental and theoretical prediction of chiroptical properties: ORD, ECD, and VCD / Ana G. Petrovic, Nina Berova, and José Lorenzo Alonso-Gómez -- Mass spectrometry strategies in the assignment of molecular structure: breaking chemical bonds before bringing the pieces of the puzzle together / Wilfried M.A. Niessen and Maarten Honing -- Basic principles of IR/Raman: applications in small molecules structural elucidation / Ricardo F. Aroca -- Solid-state NMR applications in the structural elucidation of small molecules / Mariana Sardo, João Rocha, and Luís Mafra -- Simplified NMR procedures for the assignment of the absolute configuration / José Manuel Seco, Emilio Quiñoá, and Ricardo Riguera -- Structural elucidation of small organic molecules assisted by NMR in aligned media / Roberto R. Gil, Christian Griesinger, Armando Navarro-Vázquez, and Han Sun -- NMR techniques for the study of transient intermolecular interactions / Jesús Angulo, Ana Ardá, Eurico J. Cabrita, Manuel Martín-Pastor, Jesús Jiménez-Barbero, and Pedo M. Nieto -- Analysis of molecular interactions by surface plasmon resonance spectroscopy / Eva Muñoz and Daniel Ricklin -- Determination of absolute configurations by electronic CD exciton chirality, vibrational CD, ¹H NMR anisotropy, and x-ray crystallography methods-principles, practices, and reliability / Nobuyuki Harada -- An integrated approach to structure verification using automated procedures / Juan Carlos Cobas Gómez, Michael Bernstein, and Stanislav Sýkora -- On the search for the appropriate techniques for structural elucidation of small molecules / María Magdalena Cid and Jorge Bravo.