Download or read book Spectroscopic Studies of Gas phase Metal Cation Complexes with Alkanes and Ammonia written by Muhammad Affawn Ashraf and published by . This book was released on 2018 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Understanding the non-covalent interaction between metals and small ligands such as methane and ammonia is of key importance because of their industrial and biological applications. However, these interactions are difficult to study and quantify in the bulk phase due to the interaction with neighboring molecules or atoms. Gas phase spectroscopy of mass-selected clusters is a powerful technique that overcomes this challenge by allowing clusters with known composition to be studied in the gas phase. In this thesis, we investigate the interaction between three types of small molecular ligands with metal and metal cluster ions, and answer questions about their geometries and bonding by employing photofragment spectroscopy and density functional theory (DFT). The vibrational spectra of Fe2+ (CH4)n (n=1-3) are dominated by a single intense peak about 100 cm−1 redshifted from the bare methane C-H stretch suggesting that the interaction is similar among the clusters. Comparison with calculations carried out using DFT methods indicate that the observed spectra are due to octet complexes with [eta]3 hydrogen coordination between methane ligands and the Fe atoms and that the observed peak is due to the symmetric C-H stretch. Understanding the geometry of these complexes reveals the increased extent of covalency in bonding responsible for selective reactivity as the size of the metal core increases. Vibrational spectra of Alx+(C2H6)n (x=1,2; n=1-3) have distinct complex features, and are very different from spectra of typical methane ligated metal ion complexes. The spectra show that the most intense peak is ~200 cm−1 red shifted from the bare ethane C-H stretches, enough to exhibit Fermi resonance between the bends and the stretches. Comparison with spectra of Al+(C2H6)1−6 reveals larger red shifts for the ethane complexes, indicating that ethane interacts more strongly with Alx+ than methane. We find that scaled harmonics using dispersion corrected DFT methods do not successfully predict the spectra, and we employ dressed local mode Hamiltonian method to predict the observed spectra and identify possible isomers. These results suggest that more rigorous DFT models are needed to predict metal-ion hydrocarbon ligand interaction. Calculations in best agreement with the observed spectra predict that ethane ligands tend to bind the same side of the Alx+ indicating dispersion interaction among the ligands, and that geometries are favored where the metal core is interacting with hydrogens from both methyl groups in the ethane. These findings are crucial in understanding how C-H bond strength and the size of hydrocarbon affect bonding in metal-ion hydrocarbon complexes. The electronic spectrum of the Cr+(NH3) complex measured via loss of NH3 ligand exhibits spin orbit splitting suggesting a transition from the ground 6A1 state to the excited 6E ([pi]) state. The spectrum shows a thermodynamic onset of photodissociation at 14850 cm−1 providing a precise upper limit on the binding energy. Comparison with the A ← X transition in Cr+ reveals that the excited Cr+(NH3) binds roughly 3000 cm−1 less strongly than the ground state Cr+(NH3).
Download or read book Spectroscopic Studies of the Gas Phase Complexes Benzene ammonia Sodium water and Sodium ammonia written by David Allen Rodham and published by . This book was released on 1997 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemistry of Metal Complexes in the Gas Phase written by Ameneh Gholami and published by . This book was released on 2013 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Gas Phase Ion Chemistry written by Michael T. Bowers and published by Academic Press. This book was released on 2013-10-22 with total page 363 pages. Available in PDF, EPUB and Kindle. Book excerpt: Gas Phase Ion Chemistry, Volume 2 covers the advances in gas phase ion chemistry. The book discusses the stabilities of positive ions from equilibrium gas-phase basicity measurements; the experimental methods used to determine molecular electron affinities, specifically photoelectron spectroscopy, photodetachment spectroscopy, charge transfer, and collisional ionization; and the gas-phase acidity scale. The text also describes the basis of the technique of chemical ionization mass spectrometry; the energetics and mechanisms of unimolecular reactions of positive ions; and the photodissociation of gas-phase ions. The applications of molecular beam techniques to the study of ion-molecule collisions; as well as the variational treatment of charge transfer reactions are also encompassed. Chemists and biochemists will find the book invaluable.
Download or read book The Gas Phase Chemistry of Metal and Metal containing Ions with Amines and Alkanes written by Barbara Diane Radecki and published by . This book was released on 1985 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Gas Phase Spectroscopic Studies on Energetics and Reactions of Transition metal Complexes written by Rokobné Révész Ágnes and published by . This book was released on 2011 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Spectroscopic Studies of Gas Phase Ion neutral Interactions written by Zoë Miranda Loh and published by . This book was released on 2007 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Studies of the Interaction of Metal Complexes with Ligands and Biomolecules in the Gas Phase Using Mass Spectrometry written by Sheena Wee and published by . This book was released on 2005 with total page 630 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book U S Government Research Reports written by and published by . This book was released on 1964 with total page 2180 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Advances in Gas Phase Ion Chemistry written by N.G. Adams and published by Elsevier. This book was released on 1998-04-23 with total page 377 pages. Available in PDF, EPUB and Kindle. Book excerpt: Gas-phase ion chemistry is a broad field which has many applications and which encompasses various branches of chemistry and physics. An application that draws together many of these branches is the synthesis of molecules in interstellar clouds. This was part of the motivation for studies on the neutralization of ions by electrons and on isomerization in ion-neutral associations. The results of investigations of particular aspects of ion dynamics are presented in this volume. Solvation in ion-molecule reactions is discussed and extended to include multiply charged ions by the application of electrospray techniques. This volume also provides a wealth of information on reaction thermodynamics which is critical in determining reaction spontaneity and availability of reaction channels. More focused studies are also presented towards the end of this volume, relating to the ionization process and its nature.
Download or read book Fundamentals of Gas Phase Ion Chemistry written by K.R. Jennings and published by Springer. This book was released on 1991-09-30 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the NATO Advanced Study Institute, Mont Ste. Odile, France, June 25-July 6, 1990
Download or read book Spectroscopic Studies of Alkali Metal Complexes in Non aqueous Media written by Adamantia Rokofilou-Hourdakis and published by . This book was released on 1978 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Spectroscopic Studies of Metal Complexes in Solution written by Azam Rahimi and published by . This book was released on 1977 with total page 308 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Metal Dihydrogen and Bond Complexes written by Gregory J. Kubas and published by Springer Science & Business Media. This book was released on 2006-04-18 with total page 479 pages. Available in PDF, EPUB and Kindle. Book excerpt: According to R.H. Crabtree, Metal Dihydrogen and sigma-Bond Complexes is described as `the definitive account of twentieth-century work in the area of sigma complexation'. It covers not only Kubas' discovery of dihydrogen coordination and the study of its structure and general properties but also discusses both the theoretical beliefs and experimental results of bonding and activation of dihydrogen on metal centers and the coordination and activation of C-H, B-H, X-H, and X-Y bonds, giving an overview of `one of the hottest areas in chemistry'.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1982 with total page 998 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Spectroscopic Studies of Aluminum rare Gas Complexes and the Construction of a Photodissociation Spectrometer for Spectroscopic Studies of Metal Cluster Cations written by Scott Arthur Heidecke and published by . This book was released on 1991 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Spectroscopic studies of metal complexes written by George Kevin Turner and published by . This book was released on 1974 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
