Chemical bonding

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    electrons to complete its valence electrons when they form molecules. Atoms can share electrons to satisfy the octet rule. This is called a molecular bond. In a molecular bond, the shared electrons create a bond between atoms which is called a bonding pair. Paired atoms which are not shared are called lone pairs. Electronegativity is the likelihood of an atom to attract an electron pair to itself in a molecular bond. The atoms which are closer to having eight electrons are much more likely…

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    Results and dissection 3.1 Transition metal complexes of the macrocyclic, H6L Ligand 3.1.1 The macrocyclic, H6L Ligand The physical and analytical data of the macrocyclic, H6L ligand and its transition metal complexes were shown in Table 1. From the investigation, the expected structure of H6L with its possible toutomeric forms can be represented as shown in Figure 1. H6L ligand is highly symmetric under the point group C2v symmetry and can show all the normal modes of vibrations by solving…

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    Abstract. The theoretical treatment of the equilibrium structure of the derivatives was based on the DFT method using the functional B3LYP with the base 6-311 ++ G (d, p). To distinguish the molecular electrostatic potential surface (MESP), we used the principle of HSAB (Hard Soft Acid and Base), in order to have the centers of activity of a molecule and the effects of substitution on the systems of pyrazolooxazine. These have anti-inflammatory activities. In our work, we have applied methods of…

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    electrons from Lewis bases. • Within a ligand, the atom that is directly bonded to the metal atom/ion is called the donor atom. • A coordinate covalent bond is a covalent bond in which one atom (i.e., the donor atom) gives both electrons. This type of bonding is different from a normal covalent bond in which each atom supplies one electron. • If the coordination complex carries a net charge, the…

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    energy (ii) overlap one another as much as possible (iii) have the same symmetry with respect to bonding molecular axis. 4. Ligand Field Theory (LFT): LFT is a more comprehensive and sophisticated theory is now evolved from the combination of CFT and MOT. Cotton defined LFT as the theory of the origin and the consequence of the splitting of the inner orbitals of transition metal ions and their chemical environment. The CFT assumes that the orbitals of the ligand atom do not overlap with the…

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    3.1. Chemical composition and monosaccharide analysis Polysaccharide molecules are linked together by water molecules through hydrogen bonds in an aqueous solution. Adding ethanol into aqueous solution of polysaccharide initially dehydrate polysaccharides, enhance intra-molecular hydrogen bonding, cause conformational change and aggregation of polysaccharide molecules, and eventually leads to the precipitation of macromolecular chains, and the following addition of alcohol solvent gradually…

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    What are the physical measurements? Physical properties allow for objects to be measured with color, density, and its melting point. Chemical properties are the way a substance changes, an example is combustion. Other examples are mass measurements, temperature (based upon standards, melting and boiling points of water), and light measurements. What is density? Density is the amount of mass per unit volume. What is Algor Mortis, Rigor Mortis, and Livor Mortis? The Algor Mortis is the drop…

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    Effect of temperature on alkaline phosphatase activity | |Enzyme Activity | |Temp |(nmoles pNP.min-1.mL-1) | |((C) | | |25 |15.43 | |30 |16.83 | |37 |19.61 | |45 |24.11 | |60 |14.73…

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    here first and second term in the equation (3) represents coulomb potential whereas last term is exchange-correlation potential. The exchange and correlation effects were taken in to account by using PBE-sol exchange correlation technique for treatment of electronic interactions in ZnGa2S4 and CdGa2S4 crystal compounds. The aim behind adoption of PBE-sol exchange correlation technique is that it recoups the prime gradient expansion for exchange and jallium surface potential are exactly…

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    3.3. Mulliken Atomic charges analysis Mulliken atomic charge calculation has an important physical property of the quantum chemical calculation of molecular system because of the atomic charge effect, electronic structure and more a lot of properties of molecular systems [19].The possible molecular bonding of a compound depends on the electronic charge existing on the chelating atoms [20]. The charge changes with basis set presumably occur due to polarization. The charge distribution of (C20 is…

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