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How molecules are formed:
generally two other molecules react
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How molecules are formed:
generally two other molecules react What factors are involved?
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Molecule R Molecule S
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Molecule R Joined through atoms r and s Molecule S
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Molecule R Molecule S Makes a supermolecule Joined through atoms
r and s Molecule S Makes a supermolecule
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The possible interactions
Molecule R Joined through atoms r and s Molecule S Makes a supermolecule
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Molecule R Molecule S Makes a supermolecule Joined through atoms
r and s Molecule S Lets look at FMO concepts L H Makes a supermolecule
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Orbital Control Molecule R Molecule S Joined through atoms r and s
Lets look at FMO concepts L H One gets preferential interaction between frontier orbitals closest in energy
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If there is substantial energy difference
Molecule R Joined through atoms r and s Molecule S Lets look at FMO concepts L H If there is substantial energy difference
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If there is substantial energy difference
Reactions are governed by charge control Molecule R Joined through atoms r and s Molecule S L H If there is substantial energy difference
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Hard and Soft Acid Base Theory
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Hard and Soft Acid Base Theory
Charge control involves small, polarizable electron donors and acceptors
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Hard and Soft Acid Base Theory
Charge control involves small, polarizable electron donors and acceptors Large atoms with little or no charge almost unsovated and readily polarized
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Relationship between hardness and
electronegativity
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Relationship between hardness and
electronegativity Electronegativity = = (I + A)/2
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Relationship between hardness and
electronegativity Electronegativity = = (I + A)/2 Hardness = = (I-A)/2
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Relationship between hardness and
electronegativity I = E HOMO Electronegativity = = (I + A)/2 Hardness = = (I-A)/2 A = E LUMO
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Relationship between hardness and
electronegativity I = E HOMO Electronegativity = = (I + A)/2 Hardness = = (I-A)/2 A = E LUMO Thus, we see the useful relationship of hardness to FMO theory.
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Thermochemical Data Bond energies (Homolytic) C-H 99 kcal/mol C-C 83 C-O 86 C-Cl 79 C-Br 66 C-I 52
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Thermochemical Data Bond energies (Homolytic) C-H 99 kcal/mol C-C 83 C-O 86 C-Cl 79 C-Br 66 C-I 52
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Thermochemical Data Bond energies C-H 99 kcal/mol C-C 83 C C 143 C C 194
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Thermochemical Data Bond energies Try to know some trends:
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