Heats of Hydrogenation: Experimental and Computational Hydrogen Thermochemistry of Organic CompoundsHeats of hydrogenation constitute a body of thermochemical information that has had an on-going significance despite the small number of research groups engaged in the work. Recent highly accurate quantum mechanical calculations requiring reference standards of high accuracy have brought hydrogen thermochemistry back into contemporary focus.This book concentrates on distinctive features of hydrogen thermochemistry such as the practical and historical aspects of experimental determination of the enthalpies of hydrogenation and formation of organic compounds, primarily hydrocarbons, literature on hydrogen thermochemistry over the last 70 years, as well as the impact of contemporary advances in computer hardware and software on the calculation of heats of hydrogenation. |
Contents
Preface vii | 1 |
Experimental Results | 23 |
Computational Thermochemistry | 153 |
Copyright | |
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Heats Of Hydrogenation: Experimental And Computational Hydrogen ... Donald W Rogers Limited preview - 2006 |
Common terms and phrases
acetic acid solution Adamczak Ahyd H alkenes Allinger approximate arithmetic mean atom basis set Boese Breuckman calculated calorimeter Chemistry Compare compound consisting of 9 corrected cyclohexane Dejroongruang determinations difference Doering double bond electron energy enthalpy entry equation error estimated ethene example experimental results experiments formation function gas phase give glacial acetic acid Goebel H was measured heat of solution hydrocarbons Hydrogenation was carried interaction isomers K. J. Chem kcal mol Kistiakowsky Lennartz less limits liquid Mallon measured in acetic mechanics methods methyl mol¹ molecular molecule n-hexane solution obtained orbitals parameters Phys position quantum mechanical reactant reaction relative ring Rogers Roth sample separate sets of experimental significant simple Smith Solvent effects stabilization standard Ahyd standard deviation structure Table temperature Tetrahedron thermochemical thermochemistry Thermodynam Trans Turner twice the standard uncertainties value given Vaughan W. E. J. Amer
References to this book
Aromaticity in Heterocyclic Compounds Tadeusz Marek Krygowski,Michal Ksawery Cyranski Limited preview - 2009 |