Modeling marvels: computational anticipation of novel molecules

The aim of this book is to survey a number of chemical compounds that some chemists, theoretical and experimental, find fascinating. Some of these compounds, like planar carbon species or oxirene, offer no obvious practical applications nitrogen oligomers and polymers, in contrast, have been touted as possiblehigh-energy-density materials. What unites this otherwise eclectic collectionis that these substances are unknown and offer a challenge to theory and to synthesis. That such a challenge exists is in some cases almost obvious to mostchemists. The instability of nitrogen polymers, for example, might be taken nearly as an axiom, to be quantified, but not refuted by computations and to besubjected to an almost superfluous (but rather challenging) validation by synthesis. On the other hand, oxirene, the unsaturated relative of the prosaic oxirane, presents no immediately obvious oddity, yet this molecule has defied all attempts at synthesis and remains a theoretical conundrum, in that it is notcertain if it can even exist! It is hoped that this collection of idiosyncratic molecules will appeal to chemists who find the study of chemical oddities interesting and, on occasion, even rewarding. A great romp through imagined molecules, a challenge to the talents of synthetic chemists! Errol Lewars leads us expertly through a wonderland of the chemical imagination, fascinating molecular structures that do not (yet) exist!Prof. Roald Hoffmann - Nobel Laureate,Chem. 1981- Cornell University, New York, USA This book is an educational and enjoyable read, devoted to species on the fringes of chemical, calculation and conceptual plausibilityProf. Joel Liebman, University of Maryland, Baltimore County, USA"

• ISBN: 978-1-4020-6972-7
• Editorial: Springer
• Encuadernacion: Cartoné
• Páginas: 282
• Fecha Publicación: 01/09/2008
• Nº Volúmenes: 1
• Idioma: Inglés