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Gas-Phase Dissociation Chemistry of Deprotonated RGD
Journal of the American Society for Mass Spectrometry, 2020We investigate the structure and dissociation pathways of the deprotonated amphoteric peptide arginylglycylasparic acid, [RGD-H]-. We model the pertinent gas-phase structures and fragmentation chemistry of the precursor anions and predominant sequence-informative bond cleavages (b2+H2O, c2, and z1 peaks) and compare these predictions to our tandem mass
Shanshan Guan +3 more
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Dissociation Chemistry of 3-Oxetanone in the Gas Phase
The Journal of Physical Chemistry A, 20173-Oxetanone is a strained cyclic molecule which plays an important role in synthetic chemistry. A few studies exist in the literature about the equilibrium properties of this molecule and the dissociation patterns of substituted 3-oxetanones. For the unsubstituted 3-oxetanone, formation of ketene (CH2CO) and formaldehyde (HCHO) was considered to be the
Sumitra Godara +2 more
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Chemistry Models for Air Dissociation
1996The main problem of air dissociation description at high temperatures is the thermal non-equilibrium of reactant in strong shock waves. The concept of thermal non-equilibrium is peculiar to chemical reacting system without equilibrium between vibrational and translational degrees of freedom for reacting molecules. In order to elaborate and frame models
S. A. Losev +4 more
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Dissociative chemistry of ionic transition metal cluster fragments
Journal of Cluster Science, 1991The ionic fragments formed by collision-induced dissociation of Mn2(CO) + ions (y=1–10) are reported. The ratio of product ions formed by metal-metal vs. metal-ligand bond cleavage are discussed in terms of the dependence of the metal-metal bond energy on the ...
F. H. Strobel, D. H. Russell
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Orbital specific chemistry: Controlling the pathway in single-molecule dissociation
The Journal of Chemical Physics, 2005A scanning tunneling microscope (STM) was used to control the pathway of the dissociation of single O2 molecules chemisorbed on Ag(110) at 13K. Tunneling of electrons from the STM tip into the O2 caused dissociation of the molecule, giving rise to two adsorbed O atoms separated along the [11¯0] direction. In contrast, the ejection of electrons from the
J R, Hahn, W, Ho
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Dissociative Pathways in Platinum(ll) Chemistry
Comments on Inorganic Chemistry, 1990Abstract Steric and electronic factors favor the addition of a fifth ligand to a square planar d8 complex to form five coordinate species either as discrete compounds or reaction intermediates. The search for factors promoting the conversion of the normal associative mode of reaction into a dissociative process has attracted much attention. The attempt
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Sequence Ion Structures and Dissociation Chemistry of Deprotonated Sucrose Anions
Journal of the American Society for Mass Spectrometry, 2018We investigate the tandem mass spectrometry of regiospecifically labeled, deprotonated sucrose analytes. We utilize density functional theory calculations to model the pertinent gas-phase fragmentation chemistry of the prevalent glycosidic bond cleavages (B1-Y1 and C1-Z1 reactions) and compare these predictions to infrared spectroscopy experiments on ...
Bythell, Benjamin +4 more
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INVESTIGATION OF THE DISSOCIATION CHEMISTRY OF -NF2 COMPOUNDS
1963Abstract : Thermal dissociation experiments using adiabatic compression as the means of heating were discontinued. A study of the adiabatic compression process in the TEI apparatus showed that because of the mechanical properties of the compressor and the high thermal conductivity of helium, a maximum temperature constant enough for kinetic and ...
null H. A. +3 more
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Associating Physics and Chemistry to Dissociate Molecules
Historical Studies in the Natural Sciences, 2016A case study of the Clausius-Williamson hypothesis sheds light on the development of the physical sciences during the nineteenth century. In the 1850s, Rudolf Clausius and Alexander William Williamson independently developed similar hypotheses at a time when physics and chemistry were beginning to be considered independent endeavors.
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Computational chemistry considerations in catalysis: Regioselectivity and metal-ligand dissociation
Catalysis Today, 2020Abstract The utility of a range of computational chemistry approaches for the prediction of the regioselectivity for hydroformylation processes and metal-ligand dissociation in a model organometallic system is considered to provide insight about computational strategies for use in catalysis.
Prajay Patel, Angela K. Wilson
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