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Author: Joseph J. Gajewski
Publisher: Elsevier
ISBN: 0080472982
Category : Science
Languages : en
Pages : 465
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Book Description
Hydrocarbon Thermal Isomerizations summarizes rearrangements which are induced by heating neutral hydrocarbons under non-catalytic conditions in the vapor phase or in non-polar solution. This subject has attracted the interest of mechanistic organic chemists and theorists in the last quarter century because it is one of the few fields workable by state of the art techniques of both camps. This work collects together most of the crucial rate and stereochemical data in a single volume, along with a critical analysis of each of these reactions. Unlike reviews or other books in this area that focus on reaction types, e.g.. electrocyclic reactions, or Claisen rearrangements, this volume is organized like the Chemical Abstracts Formula Index, but with an important exception: all of the relevant derivatives of each parent compound are discussed with the parent and not in their logical formula index positions. As it is not always obvious what is a parent material and what is a derivative, detailed cross-references are included throughout. An important aspect of this edition is the inclusion of calculational results that provide insight, often more than was anticipated, into these relatively simple reactions. Energetics of thermal isomerization reactions Stereochemistry of thermal isomerization reactions Organization to facilitate and integrate global analyses Comparison of experimental and theoretical results
Author: Joseph J. Gajewski
Publisher: Elsevier
ISBN: 0080472982
Category : Science
Languages : en
Pages : 465
Get Book Here
Book Description
Hydrocarbon Thermal Isomerizations summarizes rearrangements which are induced by heating neutral hydrocarbons under non-catalytic conditions in the vapor phase or in non-polar solution. This subject has attracted the interest of mechanistic organic chemists and theorists in the last quarter century because it is one of the few fields workable by state of the art techniques of both camps. This work collects together most of the crucial rate and stereochemical data in a single volume, along with a critical analysis of each of these reactions. Unlike reviews or other books in this area that focus on reaction types, e.g.. electrocyclic reactions, or Claisen rearrangements, this volume is organized like the Chemical Abstracts Formula Index, but with an important exception: all of the relevant derivatives of each parent compound are discussed with the parent and not in their logical formula index positions. As it is not always obvious what is a parent material and what is a derivative, detailed cross-references are included throughout. An important aspect of this edition is the inclusion of calculational results that provide insight, often more than was anticipated, into these relatively simple reactions. Energetics of thermal isomerization reactions Stereochemistry of thermal isomerization reactions Organization to facilitate and integrate global analyses Comparison of experimental and theoretical results
Author: Joseph Gajewski
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Book Description
Author: JJ. Gajewski
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Author: Zhendong Zhao
Publisher:
ISBN:
Category :
Languages : en
Pages : 240
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Book Description
The thermal isomerizations of several small highly strained polycyclic hydrocarbons were studied using ab intitio methods at the multiconfiguration self-consistent field level. The lowest-energy pathway for the thermolysis of tricyclo- [4.1.0.02,7 ]heptene proceeds through the intermediate (E,Z,Z)-1,3,5-cyclohepta-tri-ene with an activation barrier of 31.3 kcal · mol-1 . The intermediate can then isomerize via two pathways to give bicyclo[3.2.01hepta-2,6-diene through an electrocyclic ring closure with a barrier of 11.1 kcal · mol -1 or (Z,Z,Z)-1,3,5- cycloheptatriene through a trans double bond rotation with a barrier of 16.1 kcal · mol-1 . The thermolysis of bicyclo[3.2.0]hepta-2,6-diene via a conrotatory pathway to give (E,Z,Z)-1,3,5-cycloheptatriene has a barrier of 30.5 kcal · mol-1 . The lowest-energy pathway for the thermal isomerization of tetracyclo[4.1.0.024 .- 03,5 ]heptane proceeds through the intermediate cis-trans-norcaradiene with a barrier of 37.4 kcal mol-1 . The intermediate rearranges to cis-cis-norcaradiene through a trans double bond rotation with a low barrier of only 1.4 kcal · mol-1 . The lowest-energy pathway for the thermolysis of 2-aza-tricyclo[3.1.0.02,6 ]hexane proceeds through intermediate (E,Z)-1,3-pyridine with an activation energy of 30.1 kcal · mol-1 which then isomerizes via a trans double bond rotation with a low barrier of 4.3 kcal · mol-1 . The methyl substituent effects on the conrotatory isomerization of bicyclo[3.2.0]hepta-2,6-diene were also studied. The methyl sbustituent favors the "outward" rotation; the "outward" rotation of a methyl substituent is about 2.5 kcal · mol -1 lower than the "inward" rotation.
Author: Changyong Qin
Publisher:
ISBN:
Category :
Languages : en
Pages : 376
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Book Description
Author: Gustav Egloff
Publisher:
ISBN:
Category : Science
Languages : en
Pages : 520
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Book Description
Author: Michael Wayne Grayston
Publisher:
ISBN:
Category : Chemical reactions
Languages : en
Pages : 222
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Book Description
Author: Mehdi Ghandi
Publisher:
ISBN:
Category : Hydrocarbons
Languages : en
Pages : 250
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Book Description
Author: George A. Olah
Publisher: John Wiley & Sons
ISBN: 1119390532
Category : Science
Languages : en
Pages : 1240
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Book Description
This book provides an unparalleled contemporary assessment of hydrocarbon chemistry – presenting basic concepts, current research, and future applications. • Comprehensive and updated review and discussion of the field of hydrocarbon chemistry • Includes literature coverage since the publication of the previous edition • Expands or adds coverage of: carboxylation, sustainable hydrocarbons, extraterrestrial hydrocarbons • Addresses a topic of special relevance in contemporary science, since hydrocarbons play a role as a possible replacement for coal, petroleum oil, and natural gas as well as their environmentally safe use • Reviews of prior edition: “...literature coverage is comprehensive and ideal for quickly reviewing specific topics...of most value to industrial chemists...” (Angewandte Chemie) and “...useful for chemical engineers as well as engineers in the chemical and petrochemical industries.” (Petroleum Science and Technology)
Author: David. Hucknall
Publisher: Springer Science & Business Media
ISBN: 9400948522
Category : Science
Languages : en
Pages : 423
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Book Description
The scientific and economic importance of the high-temperature reactions of hydrocarbons in both the presence and absence of oxygen cannot be overemphasized. A vast chemical industry exists based on feedstocks produced by the controlled pyrolysis of hydrocarbons, while uncontrolled combustion in air is still among the most important sources of heat and mechanical energy. The detonation and explosion of hydrocarbon-oxidant mixtures can however, be a highly dangerous phenomenon which destroys lives and equipment. In order that control can be exerted over combustion processes, a complete description of hydrocarbon oxidation and pyrolysis is required. A major contribution to this is an understanding of the unstable intermediates involved and their reactions. The aim of this book is to review our knowledge of the chemistry of hydrocarbon combustion and to consider the data which are available for relevant reactions. Chapter 1 describes early studies in which the apparent complexity of the chemistry was established and the type of information required for a better understanding was defined. Experimental studies of the overall process which were carried out with the aim of establishing the sequence of stable chemical intermediates and some of the unstable species are described in Chapter 2. The limited nature of the information thus obtained showed that independent studies of individual reactions involving the unstable species were required. In Chapter 3 investigations specifically aimed at the determination of the kinetics of elementary reactions are discussed.
