Photoelectron spectroscopic and computational study of the PtMgH3
... The charge distribution on each atom in both cluster anions was obtained from natural population analysis, and these are marked in blue in Fig. 3. In PtMgH3 , the Pt atom draws most of the negative charge, due to its relatively high electronegativity. While the radially bonded H atom has a negative ...
... The charge distribution on each atom in both cluster anions was obtained from natural population analysis, and these are marked in blue in Fig. 3. In PtMgH3 , the Pt atom draws most of the negative charge, due to its relatively high electronegativity. While the radially bonded H atom has a negative ...
Chapter 1 Introduction - Heriot
... neutral or anionic. The chemistry of boranes was first studied systematically by Alfred Stock and his research group beginning in 1912 and continuing for almost 25 years.4 Stock developed the glass vacuum line and techniques for using it, which enabled him to synthesise and characterise these novel ...
... neutral or anionic. The chemistry of boranes was first studied systematically by Alfred Stock and his research group beginning in 1912 and continuing for almost 25 years.4 Stock developed the glass vacuum line and techniques for using it, which enabled him to synthesise and characterise these novel ...
containing complexes of aromatic amino acids
... [CuII(4Cl-tpy)(15N-Phe)] 2+ from which the two ions appeared at m/z 149 and 148, respectively (see Fig. S1 in the ESI).w These dissociation pathways are also evident for [CuII(4Cl-tpy)(Tyr)] 2+ (Fig. 2b) though less prominently. There is no evidence for dissociative proton transfer—no [M+H]+, no u ...
... [CuII(4Cl-tpy)(15N-Phe)] 2+ from which the two ions appeared at m/z 149 and 148, respectively (see Fig. S1 in the ESI).w These dissociation pathways are also evident for [CuII(4Cl-tpy)(Tyr)] 2+ (Fig. 2b) though less prominently. There is no evidence for dissociative proton transfer—no [M+H]+, no u ...
Outline
... or cyclophanes and appropriate metal ions. The selective heteroleptic preferring to homoleptic complexation is ascribed to recognition motif and maximun site ...
... or cyclophanes and appropriate metal ions. The selective heteroleptic preferring to homoleptic complexation is ascribed to recognition motif and maximun site ...
ADVANCED APPLICATIONS OF X
... In Chapter 1 an overview of XAFS is given, with particular attention to its applications to biological systems. The theory underlying the technique is presented without claim of exhaustivity, but with careful attention to the approximations implemented in the different analysis programs we used. Ch ...
... In Chapter 1 an overview of XAFS is given, with particular attention to its applications to biological systems. The theory underlying the technique is presented without claim of exhaustivity, but with careful attention to the approximations implemented in the different analysis programs we used. Ch ...
theodore l. brown h. eugene lemay, jr. bruce e. bursten catherine j
... system, or transmission in any form or by any means, electronic, mechanical, photocopying, recording, or likewise. To obtain permission(s) to use material from this work, please submit a written request to Pearson Education, Inc., Permissions Department, 1900 E. Lake Ave., Glenview, IL 60025. Many o ...
... system, or transmission in any form or by any means, electronic, mechanical, photocopying, recording, or likewise. To obtain permission(s) to use material from this work, please submit a written request to Pearson Education, Inc., Permissions Department, 1900 E. Lake Ave., Glenview, IL 60025. Many o ...
THE SYNTHESIS AND CHARACTERIZATION OF PHOSPHONIUM INDENYLIDE COMPLEXES OF RUTHENIUM(II)
... η6-benzene and η5-cyclopentadienyl ligands and are tuneable based on the nature of the phosphine used. In addition, upon coordination, phosphonium indenylides exhibit planar chirality. These properties may potentially lead to interesting coordination chemistry and applications in catalysis. ...
... η6-benzene and η5-cyclopentadienyl ligands and are tuneable based on the nature of the phosphine used. In addition, upon coordination, phosphonium indenylides exhibit planar chirality. These properties may potentially lead to interesting coordination chemistry and applications in catalysis. ...
Document
... vacancy defect. This results the decrease in density of the substance. This defect develops when a substance is heated. # Interstitial defect- When some constituent particles occupy an interstitial site, the crystal is said to have interstitial defect. This defect increases the density of the substa ...
... vacancy defect. This results the decrease in density of the substance. This defect develops when a substance is heated. # Interstitial defect- When some constituent particles occupy an interstitial site, the crystal is said to have interstitial defect. This defect increases the density of the substa ...
Aplicació de tècniques voltamperomètriques i cronopotenciomètriques de redissolució a l’especiació
... l1 of KNO3 using a deposition time of 120 s: (a) log s vs. log Iox plot for a Cd(II) concentration of 106 mol l1 compared with the theoretical lines with slope )1 (total depletion) and )2 (semi-infinite linear diffusion); (b) s vs. c2TM plot (where cTM is the total metal concentration) using an oxi ...
... l1 of KNO3 using a deposition time of 120 s: (a) log s vs. log Iox plot for a Cd(II) concentration of 106 mol l1 compared with the theoretical lines with slope )1 (total depletion) and )2 (semi-infinite linear diffusion); (b) s vs. c2TM plot (where cTM is the total metal concentration) using an oxi ...
Characterization of Photo-Induced Charge Transfer
... valence band has contributions from filled d orbitals of both cobalt oxidation states as well as 2p orbitals of the oxygen anion with some extent of hybridization effects between these orbitals. Considering the composition of spinel Co3O4, six possible electronic transitions can occur when absorbing a ...
... valence band has contributions from filled d orbitals of both cobalt oxidation states as well as 2p orbitals of the oxygen anion with some extent of hybridization effects between these orbitals. Considering the composition of spinel Co3O4, six possible electronic transitions can occur when absorbing a ...
Theoretical studies of mononuclear non-heme iron active sites Arianna Bassan
... taining the 2-His-1-carboxylate motif in the coordination environment of iron. This pattern of ligands characterizes the enzymes investigated in this thesis: tetrahydrobiopterin-dependent hydroxylases, α-ketoglutaratedependent enzymes and naphthalene 1,2-dioxygenase. The third chapter summarizes ou ...
... taining the 2-His-1-carboxylate motif in the coordination environment of iron. This pattern of ligands characterizes the enzymes investigated in this thesis: tetrahydrobiopterin-dependent hydroxylases, α-ketoglutaratedependent enzymes and naphthalene 1,2-dioxygenase. The third chapter summarizes ou ...
An insight into a base-free Michael addition reaction as catalyzed
... and Supporting information Figs. S3eS5, S8eS14 and Tables S1, S3eS13) and the results of which closely matched with each other. The solvent effects were incorporated via polarizable continuum model (PCM) calculations, done for the CH3CN and CHCl3 mediums. The values pertaining to the CHCl3 medium, o ...
... and Supporting information Figs. S3eS5, S8eS14 and Tables S1, S3eS13) and the results of which closely matched with each other. The solvent effects were incorporated via polarizable continuum model (PCM) calculations, done for the CH3CN and CHCl3 mediums. The values pertaining to the CHCl3 medium, o ...
Solid-State NMR and Density Functional Investigation of Carbon
... essentially because the d8 and d10 transition metal complexes are not particularly metallacyclopropane-like. For example, the 13C shielding tensor in cyclopropane itself is quite unlike that seen in the olefin complexes, having a breadth of only ∼60 ppm. We show in Figure 5 the orientations of the 1 ...
... essentially because the d8 and d10 transition metal complexes are not particularly metallacyclopropane-like. For example, the 13C shielding tensor in cyclopropane itself is quite unlike that seen in the olefin complexes, having a breadth of only ∼60 ppm. We show in Figure 5 the orientations of the 1 ...
Fulltext PDF
... by at least two units. These are energy-consuming processes and energy is provided in the form of electrons, photons or hydrogen. The products formed under this category are hydrocarbons, CH4, CO, CH3OH, HCOOH, etc., most of which have fuel applications. Gomes et al [10] have graphically plotted var ...
... by at least two units. These are energy-consuming processes and energy is provided in the form of electrons, photons or hydrogen. The products formed under this category are hydrocarbons, CH4, CO, CH3OH, HCOOH, etc., most of which have fuel applications. Gomes et al [10] have graphically plotted var ...
Chapter 9: Non-aqueous media
... The relative permittivity of NH3 is considerably less than that of H2 O and, as a consequence, the ability of liquid NH3 to dissolve ionic compounds is generally less than that of water. Exceptions include ½NH4 þ salts, iodides and nitrates which are usually readily soluble. For example, AgI, which ...
... The relative permittivity of NH3 is considerably less than that of H2 O and, as a consequence, the ability of liquid NH3 to dissolve ionic compounds is generally less than that of water. Exceptions include ½NH4 þ salts, iodides and nitrates which are usually readily soluble. For example, AgI, which ...
PAGE PROOFS
... your mouth pucker? Simply the taste of a freshly cut lemon or unripe pineapple. The vinegar in salad dressing, though less stringent, has the same effect. Even a cola or a glass of sparkling wine may leave a slightly sour taste in your mouth. All of these foods have a similar effect because of the p ...
... your mouth pucker? Simply the taste of a freshly cut lemon or unripe pineapple. The vinegar in salad dressing, though less stringent, has the same effect. Even a cola or a glass of sparkling wine may leave a slightly sour taste in your mouth. All of these foods have a similar effect because of the p ...
Cyanide Geochemistry - University of Manitoba
... with zinc chips. They were very inefficient and much of the dissolved gold remained in solution. • The Merrill-Crowe process works better than the early zinc boxes because it uses zinc powder and reduces the amount of dissolved ...
... with zinc chips. They were very inefficient and much of the dissolved gold remained in solution. • The Merrill-Crowe process works better than the early zinc boxes because it uses zinc powder and reduces the amount of dissolved ...
Minimum electrophilicity principle in Lewis acid–base complexes of
... with these acids, are considered here. It is expected that more stable complexes are formed by stronger acids. Therefore, according to the MHP and MEP, for each set of complexes which are formed for a given base and different acids, the compound with the higher hardness or lesser electrophilicity be ...
... with these acids, are considered here. It is expected that more stable complexes are formed by stronger acids. Therefore, according to the MHP and MEP, for each set of complexes which are formed for a given base and different acids, the compound with the higher hardness or lesser electrophilicity be ...
Coordination complex
In chemistry, a coordination complex or metal complex consists of a central atom or ion, which is usually metallic and is called the coordination centre, and a surrounding array of bound molecules or ions, that are in turn known as ligands or complexing agents. Many metal-containing compounds, especially those of transition metals, are coordination complexes.