chemical bonding and molecular structure
... the periodic table have, apart from 3s and 3p orbitals, 3d orbitals also available for bonding. In a number of compounds of these elements there are more than eight valence electrons around the central atom. This is termed as the expanded octet. Obviously the octet rule does not apply in such cases. ...
... the periodic table have, apart from 3s and 3p orbitals, 3d orbitals also available for bonding. In a number of compounds of these elements there are more than eight valence electrons around the central atom. This is termed as the expanded octet. Obviously the octet rule does not apply in such cases. ...
IOSR Journal of Applied Chemistry (IOSR-JAC)
... Coumarin (2H-1-benzopyran-2-one), the parent molecule of coumarin derivatives, is the simplest compound of a large class of naturally occurring phenolic substances made of fused benzene and -pyrone rings [1]. The pharmacological and biochemical properties and therapeutic applications of simple coum ...
... Coumarin (2H-1-benzopyran-2-one), the parent molecule of coumarin derivatives, is the simplest compound of a large class of naturally occurring phenolic substances made of fused benzene and -pyrone rings [1]. The pharmacological and biochemical properties and therapeutic applications of simple coum ...
Synthesis, spectroscopy, and electrochemistry of copper(II
... complex at 300 K is very close to that which is expected for two uncoupled S = 1/2 spin centers. ...
... complex at 300 K is very close to that which is expected for two uncoupled S = 1/2 spin centers. ...
Three 1D cyanide-bridged M(Ni, Pd, Pt)
... diamine are good auxiliary ligands for assembling cyanide-bridged magnetic complexes by incorporating some paramagnetic metal ions such as Mn(II), Fe(II) and Co(II), etc.24–31 With comparison to the above two macrocyclic ligands, the semi-closed pentadentate macrocycles ligand used here (Scheme 1) m ...
... diamine are good auxiliary ligands for assembling cyanide-bridged magnetic complexes by incorporating some paramagnetic metal ions such as Mn(II), Fe(II) and Co(II), etc.24–31 With comparison to the above two macrocyclic ligands, the semi-closed pentadentate macrocycles ligand used here (Scheme 1) m ...
[Cr(H2O)6]3+ ions are pale green but the chromate ion [CrO4]2
... [Cr(H2O)6]3+ contains octahedrally coordinated Cr3+ (d3). This ion shows three spin-allowed ‘d-d’ transitions. The energies of these bands, and hence the colour, depend on both ∆oct and B. These ligand-field transitions are formally orbitally forbidden (as ∆l = 0). Due to the octahedral symmetry, d- ...
... [Cr(H2O)6]3+ contains octahedrally coordinated Cr3+ (d3). This ion shows three spin-allowed ‘d-d’ transitions. The energies of these bands, and hence the colour, depend on both ∆oct and B. These ligand-field transitions are formally orbitally forbidden (as ∆l = 0). Due to the octahedral symmetry, d- ...
Your views are welcomed upon the theme of
... has the latter, but not a full outer shell. Only the atom of neon has both.) Discrete atoms that do not have this type of outer shell structure are seldom found in nature: so single atoms of carbon, oxygen, fluorine etc. are not detected in high levels. Under any kinds of ‘normal’ conditions these s ...
... has the latter, but not a full outer shell. Only the atom of neon has both.) Discrete atoms that do not have this type of outer shell structure are seldom found in nature: so single atoms of carbon, oxygen, fluorine etc. are not detected in high levels. Under any kinds of ‘normal’ conditions these s ...
Syntheses, Structures, and Luminescent Properties of the Zn and Cd
... oxovanadium(V)-salicyl-hydroximate: synthesis, structure and catalytic oxidation of hydrocarbons using H2O2 as terminal oxidant.. Polyhedron 2008, ...
... oxovanadium(V)-salicyl-hydroximate: synthesis, structure and catalytic oxidation of hydrocarbons using H2O2 as terminal oxidant.. Polyhedron 2008, ...
Theoretical investigation of sodium and magnesium atom
... The question of the nature of the metal atom-molecule bond is intriguing but difficult. Several papers have considered this question. Bentley' studied this in detail for a large series of metal atom-water complexes. He found that dissociation energies of alkali atom complexes correlate well with int ...
... The question of the nature of the metal atom-molecule bond is intriguing but difficult. Several papers have considered this question. Bentley' studied this in detail for a large series of metal atom-water complexes. He found that dissociation energies of alkali atom complexes correlate well with int ...
The LDA+U Approach: A Simple Hubbard Correction - cond
... (DFT) [1, 2] is certainly represented by Mott insulators . In these systems the insulating character of the ground state stems from the strong Coulomb repulsion between electrons that, prevailing on their kinetic energy (minimized by delocalization), forces them to localize on atomic-like orbitals ( ...
... (DFT) [1, 2] is certainly represented by Mott insulators . In these systems the insulating character of the ground state stems from the strong Coulomb repulsion between electrons that, prevailing on their kinetic energy (minimized by delocalization), forces them to localize on atomic-like orbitals ( ...
Main-group elements as transition metals
... Generally do not interact strongly with CO, C2H4 or H2. Usually diamagnetic. Have stereochemically active electron pairs which form the basis of VSEPR theory. Antiferromagnetic coupling in stable compounds not common. ...
... Generally do not interact strongly with CO, C2H4 or H2. Usually diamagnetic. Have stereochemically active electron pairs which form the basis of VSEPR theory. Antiferromagnetic coupling in stable compounds not common. ...
7 Periodic Properties of the Elements
... A billiard ball is an imperfect model for an atom. The ball has a definite “hard” boundary, while an atom has no definite edge and can be reshaped by interactions with other atoms. That said, the billiard ball is a more appropriate analogy for the nonbonding radius of a fluorine atom. The ball’s rad ...
... A billiard ball is an imperfect model for an atom. The ball has a definite “hard” boundary, while an atom has no definite edge and can be reshaped by interactions with other atoms. That said, the billiard ball is a more appropriate analogy for the nonbonding radius of a fluorine atom. The ball’s rad ...
Characteristics and Properties of Metal-to-Ligand Charge
... features have been noted in earlier work. For example, several research groups have noted that the bidentate coordination of two metals by dpp results in some twisting of the pyrazine ring.6,11,13,15 It has also been observed that the electrochemical properties of the dpp-bridged complexes do not co ...
... features have been noted in earlier work. For example, several research groups have noted that the bidentate coordination of two metals by dpp results in some twisting of the pyrazine ring.6,11,13,15 It has also been observed that the electrochemical properties of the dpp-bridged complexes do not co ...
Sulfur K-Edge XAS and DFT Calculations on P450 Model
... Abstract: Hydrogen bonding (H-bonding) is generally thought to play an important role in tuning the electronic structure and reactivity of metal-sulfur sites in proteins. To develop a quantitative understanding of this effect, S K-edge X-ray absorption spectroscopy (XAS) has been employed to directl ...
... Abstract: Hydrogen bonding (H-bonding) is generally thought to play an important role in tuning the electronic structure and reactivity of metal-sulfur sites in proteins. To develop a quantitative understanding of this effect, S K-edge X-ray absorption spectroscopy (XAS) has been employed to directl ...
Chapter 9 Coordination Chemistry I: Structure and Isomers
... He resolved the first coordination complex into optical isomers, overthrowing the theory that chirality was necessarily associated with carbon compounds. ...
... He resolved the first coordination complex into optical isomers, overthrowing the theory that chirality was necessarily associated with carbon compounds. ...
- JPS Journals
... connection, a conceptual bridge, between the state of a system of fictitious non interacting particles with eigenenergies kj , and the full many body Hamiltonian. While the Kohn–Sham spectra and the Kohn–Sham states cannot be interpreted as the spectrum for adding and removing a particle in the true ...
... connection, a conceptual bridge, between the state of a system of fictitious non interacting particles with eigenenergies kj , and the full many body Hamiltonian. While the Kohn–Sham spectra and the Kohn–Sham states cannot be interpreted as the spectrum for adding and removing a particle in the true ...
molybdenum(O)
... due to the nitrile carbon atoms. This unequivocally indicates that the FN ligand is coordinated to the M (CO)5 moiety through one nitrile nitrogen atom. A symmetric coordination of FN would give only two 13C NMR signals, one for the olefinic and one for the nitrile carbon atoms. It is to be noted th ...
... due to the nitrile carbon atoms. This unequivocally indicates that the FN ligand is coordinated to the M (CO)5 moiety through one nitrile nitrogen atom. A symmetric coordination of FN would give only two 13C NMR signals, one for the olefinic and one for the nitrile carbon atoms. It is to be noted th ...
Oxidative Addition
... The more nucleophilic the metal, the greater its reactivity in SN2 additions, as illustrated by the reactivity order for some Ni(0) complexes: the reactivity order for some Ni(0) complexes: ...
... The more nucleophilic the metal, the greater its reactivity in SN2 additions, as illustrated by the reactivity order for some Ni(0) complexes: the reactivity order for some Ni(0) complexes: ...
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.