First-Principle Approach to Electronic States and Metal Insulator
... One can consider a Mott insulator as a system, where an intriguing competition takes place: the kinetic (band) energy of the electrons in the lattice (much alike in the free-electron case), experience mutual repulsive Coulomb interactions. Even a rather crude approximation of locality of the electro ...
... One can consider a Mott insulator as a system, where an intriguing competition takes place: the kinetic (band) energy of the electrons in the lattice (much alike in the free-electron case), experience mutual repulsive Coulomb interactions. Even a rather crude approximation of locality of the electro ...
Polynuclear Complexes Containing Ditopic Bispyrazolylmethane
... common organic linkers have been polycarboxylic aromatic molecules and nitrogenated ligands such as bipyridines or other species containing azaheterocycles.3,4e,15 ...
... common organic linkers have been polycarboxylic aromatic molecules and nitrogenated ligands such as bipyridines or other species containing azaheterocycles.3,4e,15 ...
the general features of transition metal chemistry
... The ligands are named in ___________ order - ignoring the prefixes. [Cu(NH3)4(H2O)2]2+ is called the _____________________(II) ion. The "ammine" is named before the "aqua" because "am" comes before "aq" in the alphabet. The "tetra" and "di" are ignored. Naming the metal For positively charged comple ...
... The ligands are named in ___________ order - ignoring the prefixes. [Cu(NH3)4(H2O)2]2+ is called the _____________________(II) ion. The "ammine" is named before the "aqua" because "am" comes before "aq" in the alphabet. The "tetra" and "di" are ignored. Naming the metal For positively charged comple ...
Second-Sphere Contributions to Substrate-Analogue
... mutations had occurred. The mutant protein was expressed and isolated according to established procedures.16,18 Consistent with the conservative nature of the amino acid substitution, the mutant was found to bind ∼2 Fe/protein dimer (determined on the basis of a colorimetric assay20 and atomic absor ...
... mutations had occurred. The mutant protein was expressed and isolated according to established procedures.16,18 Consistent with the conservative nature of the amino acid substitution, the mutant was found to bind ∼2 Fe/protein dimer (determined on the basis of a colorimetric assay20 and atomic absor ...
First-principles calculations of X-ray absorption - HAL
... systematically with valence state and site symmetry.5 These V K pre-edge properties have been used to determine the valence state of vanadium in natural vanadiferrous titanomagnetites and the proportion of vanadium occurring as V4+ has been calculated by comparison with octahedral V3+ and V4+.6,7 Al ...
... systematically with valence state and site symmetry.5 These V K pre-edge properties have been used to determine the valence state of vanadium in natural vanadiferrous titanomagnetites and the proportion of vanadium occurring as V4+ has been calculated by comparison with octahedral V3+ and V4+.6,7 Al ...
A Density Functional Theory and Quantum Theory of
... insignificant relativistic effects.36 DFT methods reproduce geometries quite well, and are reasonably good for vibrational frequencies and total energies.36 Among the ligands we are interested in are the amino-alcohols. They are used in the pharmaceutical industry38-40 and as chiral reagents in orga ...
... insignificant relativistic effects.36 DFT methods reproduce geometries quite well, and are reasonably good for vibrational frequencies and total energies.36 Among the ligands we are interested in are the amino-alcohols. They are used in the pharmaceutical industry38-40 and as chiral reagents in orga ...
SYNTHESIS AND ANTIMICROBIAL STUDIES OF IRON (III
... form incompatibilities, explain the mode of action of some drugs as well as devise new methods of drug analysis. Formation of coordination complexes provides the basis for many analytical methods for determination of metals in food, drug and biological systems (e.g. complexiometric titration). Very ...
... form incompatibilities, explain the mode of action of some drugs as well as devise new methods of drug analysis. Formation of coordination complexes provides the basis for many analytical methods for determination of metals in food, drug and biological systems (e.g. complexiometric titration). Very ...
the Scanned PDF - Mineralogical Society of America
... Figure4 showsthe visibleand near-infrared diffusereflectance spectra of the different iron oxides and oxide hydroxides. Near-UV and visible region absorption spectra of these minerals are shown in Figure 5. The visible and near ultraviolet spectra of goethite, lepidocrocite, and maghemite are all qu ...
... Figure4 showsthe visibleand near-infrared diffusereflectance spectra of the different iron oxides and oxide hydroxides. Near-UV and visible region absorption spectra of these minerals are shown in Figure 5. The visible and near ultraviolet spectra of goethite, lepidocrocite, and maghemite are all qu ...
Metal disordering Cu(II) supramolecular polymers constructed from
... and interesting structural motifs may result, including those easily expected and in some cases unpredicted. Furthermore, highly symmetrical building blocks may lead to novel frameworks with high symmetries and extreme beauty.6 In addition, as one of the most important aspects of supramolecular chem ...
... and interesting structural motifs may result, including those easily expected and in some cases unpredicted. Furthermore, highly symmetrical building blocks may lead to novel frameworks with high symmetries and extreme beauty.6 In addition, as one of the most important aspects of supramolecular chem ...
Chapter 2 Atoms and the Periodic Table
... Use the periodic table to find the element corresponding to each symbol. a. K2Cr2O7 is made up of 2 atoms of K (potassium), 2 atoms of Cr (chromium) and 7 atoms of O (oxygen). b. C5 H8 NNaO4 is made up of 5 atoms of C (carbon), 8 atoms of H (hydrogen), 1 atom of N (nitrogen), 1 atom of Na (sodium) a ...
... Use the periodic table to find the element corresponding to each symbol. a. K2Cr2O7 is made up of 2 atoms of K (potassium), 2 atoms of Cr (chromium) and 7 atoms of O (oxygen). b. C5 H8 NNaO4 is made up of 5 atoms of C (carbon), 8 atoms of H (hydrogen), 1 atom of N (nitrogen), 1 atom of Na (sodium) a ...
IOSR Journal of Applied Chemistry (IOSR-JAC) e-ISSN: 2278-5736.
... A2g → 3T1g (F), 3A2g → 3T1g (P)) from the ideal octahedral geometry around the Ni (II). However, band shapes and positions (assigned on the basis of Oh symmetry) and the ligand field parameter Dq ( 3A2g → 3T2g, lowest energy transition) and B (Racah parameter) values, calculated according to the ave ...
... A2g → 3T1g (F), 3A2g → 3T1g (P)) from the ideal octahedral geometry around the Ni (II). However, band shapes and positions (assigned on the basis of Oh symmetry) and the ligand field parameter Dq ( 3A2g → 3T2g, lowest energy transition) and B (Racah parameter) values, calculated according to the ave ...
Applications of Paramagnetic NMR Spectroscopy
... Complexes of Cr(III), Fe(II), Fe(III), Co(II), and Ni(II) with dipicolinic acid were prepared as described previously (30, 31, 33, 63, 64). Both 1:1 and 1:2 complexes are formed with each of the metal ion assuming that dipic " coordinated to the metal ion in a tridentate manner as has been shown pre ...
... Complexes of Cr(III), Fe(II), Fe(III), Co(II), and Ni(II) with dipicolinic acid were prepared as described previously (30, 31, 33, 63, 64). Both 1:1 and 1:2 complexes are formed with each of the metal ion assuming that dipic " coordinated to the metal ion in a tridentate manner as has been shown pre ...
The Influence of a New-Synthesized Complex Compounds of
... of this latter group of cyclic ligands with an emphasis being placed on the more recent work. The chemistry of synthetic macrocyclic ligands can be divided into two broad divisions. Firstly there are the cyclic polyethers of the „crown‟ type of which is a typical example1. Ligands of this general ca ...
... of this latter group of cyclic ligands with an emphasis being placed on the more recent work. The chemistry of synthetic macrocyclic ligands can be divided into two broad divisions. Firstly there are the cyclic polyethers of the „crown‟ type of which is a typical example1. Ligands of this general ca ...
Spintronic materials based on main-group elements
... Thus, devices based on half-metals should operate well below the Curie temperature, requiring half-metals with high Curie temperatures and/or low temperatures. Several ways of influencing the magnon spectrum and thus the control temperature have been suggested [4]. Also, manybody effects like non-qu ...
... Thus, devices based on half-metals should operate well below the Curie temperature, requiring half-metals with high Curie temperatures and/or low temperatures. Several ways of influencing the magnon spectrum and thus the control temperature have been suggested [4]. Also, manybody effects like non-qu ...
Studies of stability constant on ternary chelates of bivalent
... complexes. In all the ternary systems, distinct inflections were observed in the titration curves, indicating the formation of chelates. Formation of ternary complexes was further confirmed from the non-superimposible nature of theoretical composite curves on the experimental curve in the region of ...
... complexes. In all the ternary systems, distinct inflections were observed in the titration curves, indicating the formation of chelates. Formation of ternary complexes was further confirmed from the non-superimposible nature of theoretical composite curves on the experimental curve in the region of ...
Chapter 3 Molecules, Compounds, and Chemical Equations
... their atoms, the order of atom attachment, and the kind of attachment. They do not directly describe the three-dimensional shape but an experienced chemist can make a good shape, guess at it. use lines to represent covalent bonds Each line describes the number of electrons shared by the bonded ...
... their atoms, the order of atom attachment, and the kind of attachment. They do not directly describe the three-dimensional shape but an experienced chemist can make a good shape, guess at it. use lines to represent covalent bonds Each line describes the number of electrons shared by the bonded ...
Chemistry - Sanskriti School
... Q14. An organic compound on analysis gave the following percentage composition; C=57.8%, H=3.6% and the rest is oxygen. The molecular mass of the compound was found to be 166. Find out the molecular formula of the compound. [C4H3O2] Q15. 250 ml of 0.5M Na2SO4 solution is added to an aqueous solution ...
... Q14. An organic compound on analysis gave the following percentage composition; C=57.8%, H=3.6% and the rest is oxygen. The molecular mass of the compound was found to be 166. Find out the molecular formula of the compound. [C4H3O2] Q15. 250 ml of 0.5M Na2SO4 solution is added to an aqueous solution ...
Review - Sociedade Brasileira de Química
... Coordination compounds of the radioactive element technetium are well established in diagnostic nuclear medicine, and various complexes of the γ-emitting nuclide 99mTc are routinely used for organ imaging. Modern trends in the radiopharmaceutical chemistry of technetium focus on the ‘labeling’ of bi ...
... Coordination compounds of the radioactive element technetium are well established in diagnostic nuclear medicine, and various complexes of the γ-emitting nuclide 99mTc are routinely used for organ imaging. Modern trends in the radiopharmaceutical chemistry of technetium focus on the ‘labeling’ of bi ...
full paper - Wayne State Chemistry Department
... partially filled d shells.[8,9] There has been one previous report of a (pyrazolato)vanadium complex, [(TpiPr2V(O)(µOH)(µ-PziPr2)V(O)(µ-OH)(µ-PziPr2)V(O)TpiPr2)], which was obtained by partial hydrolysis of a vanadium(IV) hydrotris(3,5-diisopropyl-1-pyrazolyl)borate complex.[16] The 3,5-diisopropylp ...
... partially filled d shells.[8,9] There has been one previous report of a (pyrazolato)vanadium complex, [(TpiPr2V(O)(µOH)(µ-PziPr2)V(O)(µ-OH)(µ-PziPr2)V(O)TpiPr2)], which was obtained by partial hydrolysis of a vanadium(IV) hydrotris(3,5-diisopropyl-1-pyrazolyl)borate complex.[16] The 3,5-diisopropylp ...
Two New Ruthenium(II) Complexes with Cyclometalated 2
... as the mononuclear complex 2 by an independent synthesis (vide infra). Under the optimized reaction conditions mentioned above, only traces of 2 and Ru3 (CO)12 were detected when the reaction was stopped. The mononuclear complex 2 could be prepared in 67 % yield from Ru3 (CO)12 and Hppy, when the re ...
... as the mononuclear complex 2 by an independent synthesis (vide infra). Under the optimized reaction conditions mentioned above, only traces of 2 and Ru3 (CO)12 were detected when the reaction was stopped. The mononuclear complex 2 could be prepared in 67 % yield from Ru3 (CO)12 and Hppy, when the re ...
Induced Aromaticity and Electron-Count Rules for Bipyramidal and
... and specific valence electron shell. Classification and quantification of various structural types of aromaticity have received much attention and were amply reviewed [1, 2]. We have previously introduced the notion of induced aromaticity [3] as a special type of stabilization of a conjugated cyclic ...
... and specific valence electron shell. Classification and quantification of various structural types of aromaticity have received much attention and were amply reviewed [1, 2]. We have previously introduced the notion of induced aromaticity [3] as a special type of stabilization of a conjugated cyclic ...
Abstract - Online International Interdisciplinary Research Journal
... band of the shortest wavelength appeared at 233 and 252 nm may be assigned to the π→π* transition in the benezenoid moieties. The third band appears at 321.5 nm may be assigned to n→π* of the carbonyl group. These bands are shifted to higher or lower energy on complexation indicating the participati ...
... band of the shortest wavelength appeared at 233 and 252 nm may be assigned to the π→π* transition in the benezenoid moieties. The third band appears at 321.5 nm may be assigned to n→π* of the carbonyl group. These bands are shifted to higher or lower energy on complexation indicating the participati ...
Mass Spectrometric Studies on Metal
... and Pb) cluster anions. Bowen group[22―24] conducted PES studies of Mm(Bz)n–(M= Ti, Co, Fe, Ni) cluster anions. It is known that benzene molecules are prone to being dissociated by metal anionic clusters. On the surface of many active metal clusters, for example V[25], Pt[26], Nb and Rh[27], benzene ...
... and Pb) cluster anions. Bowen group[22―24] conducted PES studies of Mm(Bz)n–(M= Ti, Co, Fe, Ni) cluster anions. It is known that benzene molecules are prone to being dissociated by metal anionic clusters. On the surface of many active metal clusters, for example V[25], Pt[26], Nb and Rh[27], benzene ...
Jahn–Teller effect
The Jahn–Teller effect, sometimes also known as Jahn–Teller distortion, describes the geometrical distortion of molecules and ions that is associated with certain electron configurations. This electronic effect is named after Hermann Arthur Jahn and Edward Teller, who proved, using group theory, that orbital nonlinear spatially degenerate molecules cannot be stable. The Jahn–Teller theorem essentially states that any nonlinear molecule with a spatially degenerate electronic ground state will undergo a geometrical distortion that removes that degeneracy, because the distortion lowers the overall energy of the species. For a description of another type of geometrical distortion that occurs in crystals with substitutional impurities see article off-center ions.