› › Structure Reactivity Studies Of Organometallic Cations In The Gas Phase By Using Fourier Transform Mass Spectrometry

Structure, Energetics and Reactions of Metal Cation Complexes of Dipeptides in the Gas Phase

Author : Maryam Beyramzadeh Moghaddam

Publisher :

Page : pages

File Size : 41,88 MB

Release : 2016

Category :

ISBN :

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Book Description

Structure, energetics and reactions of ions in the gas phase can be revealed by mass spectrometry techniques coupled to ions activation methods. Ions can gain enough energy for dissociation by absorbing IR light photons introduced by an IR laser to the mass spectrometer. Also collisions with a neutral molecule can increase the internal energy of ions and provide the dissociation threshold energy. Infrared multiple photon dissociation (IRMPD) or sustained off-resonance irradiation collision-induced dissociation (SORI-CID) methods are combined with Fourier Transform Ion Cyclotron Resonance (FT-ICR) mass spectrometers where ions can be held at low pressures for a long time. The outcome of ion activation techniques especially when it is compared to the computational methods results is of great importance since it provides useful information about the structure, thermochemistry and reactivity of ions of interest. In this work structure, energetics and reactivity of metal cation complexes with dipeptides are investigated. Effect of metal cation size and charge as well as microsolvation on the structure of these complexes has been studied. Structures of bare and hydrated Na and Ca complexes with isomeric dipeptides AlaGly and GlyAla are characterized by means of IRMPD spectroscopy and computational methods. At the second step unimolecular dissociation reactions of singly charged and doubly charged multimetallic complexes of alkaline earth metal cations with GlyGly are examined by CID method. Also structural features of these complexes are revealed by comparing their IRMPD spectra with calculated IR spectra of possible structures. At last the unimolecular dissociation reactions of Mn complexes are studied. IRMPD spectroscopy along with computational methods is also employed for structural elucidation of Mn complexes. In addition the ion-molecule reactions of Mn complexes with CO and water are explored in the low pressures obtained in the ICR cell.





Organometallic Chemistry

Author : E W Abel

Publisher : Royal Society of Chemistry

Page : 498 pages

File Size : 46,51 MB

Release : 2007-10-31

Category : Science

ISBN : 1847554091

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Book Description

Organometallic chemistry is an interdisciplinary science which continues to grow at a rapid pace. Although there is continued interest in synthetic and structural studies the last decade has seen a growing interest in the potential of organometallic chemistry to provide answers to problems in catalysis synthetic organic chemistry and also in the development of new materials. This Specialist Periodical Report aims to reflect these current interests reviewing progress in theoretical organometallic chemistry, main group chemistry, the lanthanides and all aspects of transition metal chemistry. Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.



Organometallic Bonding and Reactivity

Author : J.M. Brown

Publisher : Springer Science & Business Media

Page : 220 pages

File Size : 10,90 MB

Release : 1999-09-20

Category : Medical

ISBN : 9783540642534

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Book Description

Written by experts and pioneers in the field, the volume addresses state-of-the-art theoretical and experimental methodologies applicable to fundamental problems of structure and reactivity of organometallic compounds. The principles of ab initio and density functional theory, as well as integrated force field/quantum chemistry approaches are outlined, with particular emphasis on their applicability to transition metal organometallic molecules and their reactions. Specific case studies, spanning a range from static structural aspects to molecular structure dynamics, reaction mechanisms and catalytic cycles illustrate the power of modern quantum chemistry for organometallics. Experimental properties of organometallic systems, derived from gas phase organometallic chemistry as well as solid state structural chemistry provide deep and complementary insights into the fundamentals of the chemistry of the metal-carbon bond.



Organometallic Chemistry

Author : M Green

Publisher : Royal Society of Chemistry

Page : 594 pages

File Size : 34,79 MB

Release : 2007-10-31

Category : Science

ISBN : 1847554156

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Book Description

Organometallic chemistry is an interdisciplinary science which continues to grow at a rapid pace. Although there is continued interest in synthetic and structural studies the last decade has seen a growing interest in the potential of organometallic chemistry to provide answers to problems in catalysis synthetic organic chemistry and also in the development of new materials. This Specialist Periodical Report aims to reflect these current interests reviewing progress in theoretical organometallic chemistry, main group chemistry, the lanthanides and all aspects of transition metal chemistry. Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.





Spin States in Biochemistry and Inorganic Chemistry

Author : Marcel Swart

Publisher : John Wiley & Sons

Page : 500 pages

File Size : 30,83 MB

Release : 2015-12-14

Category : Science

ISBN : 1118898311

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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.





Comprehensive Organometallic Chemistry II, Volume 7

Author : D.F. Schriver

Publisher : Elsevier

Page : 1071 pages

File Size : 47,76 MB

Release : 2002-09-10

Category : Science

ISBN : 008096396X

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Book Description

The section devoted to iron in this volume reflects the tremendous progress in the area. Specifically cluster chemistry, ligand transformations and detailed structural results are more prominent in COMC II. The organic chemistry of ruthenium and osmium is an area which has burgeoned during the period since the publication of COMC. This is especially true for the cluster chemistry of these elements, which have provided most of the advances in this important field. Consequently, this volume will include an update (1981-1993) of the chemistry of mono- and bi-nuclear complexes of ruthenium and osmium, with a rather more extensive treatment of tri- and tetra-nuclear complexes. This is because many of the early results in ruthenium and osmium cluster chemistry described in COMC are now much better understood and can thus be placed in a more general context. In the case of complexes containing clusters with five or more metal atoms, the coverage is essentially complete, again because this chemistry has developed during the 1980s.



Mass Spectrometry

Author : M E Rose

Publisher : Royal Society of Chemistry

Page : 378 pages

File Size : 34,37 MB

Release : 2007-10-31

Category : Science

ISBN : 1847556655

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Book Description

Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.