Modeling Marvels: Computational Anticipation of Novel Molecules

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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

Author(s): Errol G. Lewars (auth.)
Edition: 1
Publisher: Springer Netherlands
Year: 2008

Language: English
Pages: 282
Tags: Organic Chemistry; Simulation and Modeling; Theoretical and Computational Chemistry

Front Matter....Pages i-xiv
Planar Carbon....Pages 1-12
Pyramidal Carbon....Pages 13-29
Oxirene....Pages 31-52
Nitrogen Pentafluoride and Related Compounds....Pages 53-65
Helium Compounds....Pages 67-80
Tetrahedrane....Pages 81-104
Orthogonene....Pages 105-113
Hexaphenylethane....Pages 115-129
Ethenedione, C 2 O 2 ....Pages 131-140
Nitrogen Oligomers and Polymers: Superfuels or Chimeras?....Pages 141-163
Oligomers and Polymers of Carbon Dioxide and CO2/N2....Pages 165-184
Polyprismanes. Flights of Fun and Fancy....Pages 185-226
A Menagerie of Molecules from Michl and Balaji: Superstrained Molecules....Pages 227-256
Summary....Pages 257-273
Back Matter....Pages 275-282