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Chemistry - Organic Chemistry | Modeling Marvels

Modeling Marvels

Computational Anticipation of Novel Molecules

Lewars, Errol G.

2008

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  • The first book to feature compounds/classes of compounds of theoretical interest that have been studied theoretically but have defied synthesis
  • Addresses difficult routes of synthesis within organic chemistry
  • Focuses on the molecular modeling and synthesis of unstable molecules

The aim of this book is to survey a number of chemical compounds that chemists, both 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 possible high-energy-density materials. What unites this otherwise eclectic collection is that these substances are unknown and offer a challenge to theory and to synthesis.  It is envisioned that this collection of idiosynchractic 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 plausibility"
Prof. Joel Liebman, University of Maryland, Baltimore County, USA

Content Level » Research

Keywords » Computational Chemistry - Hydrocarbon chemistry - Molecular Modelling - Molecular Orbitals - Novel Organic Compounds - Organic Synthesis - Stereochemistry - modeling

Related subjects » Organic Chemistry - Theoretical and Computational Chemistry - Theoretical Computer Science

Table of contents 

Chapter 1: Planar Carbon Chapter 2: Pyramidal Carbon Chapter 3: Oxirene Chapter 4: Nitrogen Pentafluoride and Related Compounds Chapter 5: Helium Compounds Chapter 6: Tetrahedrane Chapter 7: Orthogonene Chapter 8: Hexaphenylethane Chapter 9: Ethenedione, C2O2 Chapter 10: Nitrogen Oligomers and Polymers: Superfuels or Chimeras? Chapter 11: Oligomers and Polymers of Carbon Dioxide and CO2/N2 Chapter 12: Polyprismanes. Flights of Fun and Fancy Chapter 13: A Menagerie of Molecules from Michl and Balaji: Superstrained Molecules Chapter 14: Summary

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