Energy-resolved Collision-induced Dissociation Studies for Ion Thermochemistry PDF Download
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Author: Alex Andrew Nickel
Publisher:
ISBN:
Category : Electronic books
Languages : en
Pages : 398
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Book Description
Energy-resolved competitive threshold collision-induced dissociation (TCID) measurements for radical species relevant to combustion were made using a guided ion beam tandem mass spectrometer. These ion thermochemistry methods can be used to obtain thermochemical properties of these neutral radicals through the use of thermochemical cycles. The high reactivity of radical species often makes them challenging to directly measure. Study of the peroxyformate anion (HC(O)OO−) revealed a singlet-triplet crossing in the oxygen-oxygen bond dissociation channel. Analysis of the thresholds gives the first experimentally determined enthalpies of formation for both peroxyformic acid and the peroxyformyl radical. We have also studied the TCID of linear and branched hexanol (C6H13OH) complexed with fluoride and acetylide to determine their gas-phase acidities. The role of conformation on the gas-phase acidities of 1-hexanol and 3, 3-dimethyl-1-butanol was explored using modified microcanonical statistical rate theory (RRKM) models with internal rotations treated as one-dimensional hindered rotors. These six-carbon primary alcohols have the same “intrinsic” gas-phase acidity, defined as deprotonation without conformational relaxation, but differ in observed acidity due to conformational stabilization of the anion.
Author: Alex Andrew Nickel
Publisher:
ISBN:
Category : Electronic books
Languages : en
Pages : 398
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Book Description
Energy-resolved competitive threshold collision-induced dissociation (TCID) measurements for radical species relevant to combustion were made using a guided ion beam tandem mass spectrometer. These ion thermochemistry methods can be used to obtain thermochemical properties of these neutral radicals through the use of thermochemical cycles. The high reactivity of radical species often makes them challenging to directly measure. Study of the peroxyformate anion (HC(O)OO−) revealed a singlet-triplet crossing in the oxygen-oxygen bond dissociation channel. Analysis of the thresholds gives the first experimentally determined enthalpies of formation for both peroxyformic acid and the peroxyformyl radical. We have also studied the TCID of linear and branched hexanol (C6H13OH) complexed with fluoride and acetylide to determine their gas-phase acidities. The role of conformation on the gas-phase acidities of 1-hexanol and 3, 3-dimethyl-1-butanol was explored using modified microcanonical statistical rate theory (RRKM) models with internal rotations treated as one-dimensional hindered rotors. These six-carbon primary alcohols have the same “intrinsic” gas-phase acidity, defined as deprotonation without conformational relaxation, but differ in observed acidity due to conformational stabilization of the anion.
Author: Stephen Gee Anderson
Publisher:
ISBN:
Category : Collision spectroscopy
Languages : en
Pages : 636
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Book Description
Author: Felician Muntean
Publisher:
ISBN:
Category : Collisions (Nuclear physics)
Languages : en
Pages : 352
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Book Description
Author: David Alan Hales
Publisher:
ISBN:
Category :
Languages : en
Pages : 436
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Book Description
Author: Chava Lifshitz
Publisher: John Wiley & Sons
ISBN: 0470050411
Category : Science
Languages : en
Pages : 707
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Book Description
An extensive compilation of articles by leading professionals, this reference explains the fundamental principles of mass spectrometry as they relate to the life sciences. Topics covered include spectroscopy, energetics and mechanisms of peptide fragmentation, electron capture dissociation, ion-ion and ion-molecule reactions, reaction dynamics, collisional activation, soft-landing, protein structure and interactions, thermochemistry, and more. The book empowers readers to develop new ways of using these techniques.
Author: Pierre Ausloos
Publisher: Springer Science & Business Media
ISBN: 9400937873
Category : Science
Languages : en
Pages : 491
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Book Description
This volume presents the proceedings of a 1986 Advanced Study Institute entitled "Structure/Reactivity and Thermochemistry of Ions", held at Les Arcs, France, June 30 to July 11, 1986. The format of a NATO Institute is ideally suited to in-depth communications between scien tists of diverse backgrounds. Particularly in the field of ion physics and chemistry, where on-going research involves physicists, physical chemists, and organic chemists - who use a variety of experimental and theoretical techniques - it is found that in the relaxed but stimula ting atmosphere of a NATO ASI, each professional group provides unique insights, leading to a better definition and solution of problems relating to the properties of gas phase ions. This book presents chapters based on the lectures presented at the Les Arcs ASI. The participants took the initiative to organize a number of specialized workshops - informal discussion groups which considered questions or problem areas of particular interest. The accounts of these sessions, which are also included in this book, make stimulating reading, and include considerable useful information. This Advanced Study Institute is the fourth in a series of NATO-spon sored institutes devoted to the chemistry and physics of ions in the gas phase. The first, in 1974, in Biarritz, France, focussed on "Interactions between Ions and Molecules".
Author: J. A. McCleverty
Publisher: Newnes
ISBN: 0080913164
Category : Science
Languages : en
Pages : 11845
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Book Description
Comprehensive Coordination Chemistry II (CCC II) is the sequel to what has become a classic in the field, Comprehensive Coordination Chemistry, published in 1987. CCC II builds on the first and surveys new developments authoritatively in over 200 newly comissioned chapters, with an emphasis on current trends in biology, materials science and other areas of contemporary scientific interest.
Author: Kurtis Richard Kneen
Publisher:
ISBN:
Category : Chemical reactions
Languages : en
Pages : 352
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Book Description
Author: Richard Hersch Schultz
Publisher:
ISBN:
Category :
Languages : en
Pages : 772
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Book Description
Author: Marcel Swart
Publisher: John Wiley & Sons
ISBN: 1118898311
Category : Science
Languages : en
Pages : 500
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Book Description
It has long been recognized that metal spin states play a central role in the reactivity of important biomolecules, in industrial catalysis and in spin crossover compounds. As the fields of inorganic chemistry and catalysis move towards the use of cheap, non-toxic first row transition metals, it is essential to understand the important role of spin states in influencing molecular structure, bonding and reactivity. Spin States in Biochemistry and Inorganic Chemistry provides a complete picture on the importance of spin states for reactivity in biochemistry and inorganic chemistry, presenting both theoretical and experimental perspectives. The successes and pitfalls of theoretical methods such as DFT, ligand-field theory and coupled cluster theory are discussed, and these methods are applied in studies throughout the book. Important spectroscopic techniques to determine spin states in transition metal complexes and proteins are explained, and the use of NMR for the analysis of spin densities is described. Topics covered include: DFT and ab initio wavefunction approaches to spin states Experimental techniques for determining spin states Molecular discovery in spin crossover Multiple spin state scenarios in organometallic reactivity and gas phase reactions Transition-metal complexes involving redox non-innocent ligands Polynuclear iron sulfur clusters Molecular magnetism NMR analysis of spin densities This book is a valuable reference for researchers working in bioinorganic and inorganic chemistry, computational chemistry, organometallic chemistry, catalysis, spin-crossover materials, materials science, biophysics and pharmaceutical chemistry.
