2.HT Valence Flashcards
what is the Hamiltonian for a single electron atom
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what is the Hamiltonian for Hydrogen molecule
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what is the Born Oppenheimer approximation
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what is the electronic hamiltonian for single electron atom
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what is the general Schrödinger equation for electronic motion
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what is the general Schrödinger equation for nuclear motion
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derive the Schrödinger equation * REMOVE DERIVATION CARDS*
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what causes the Born-Oppenheimer approximation to break down for non-adiabatic behaviour
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draw the potential energy curves for Li+/H- and Li/H, and annotate with covalent and ionic behaviour
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what is the Hamiltonian for H2+
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what is the LCAO approximation
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derive the value of the orbital coefficients for H2+
** REMOVE DERIVATION CARDS ***
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draw the electron density distribution for bonding H2+ MO
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draw the electron density distribution for anti-bonding H2+ MO
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derive the orbital energies for H2+ ** REMOVE DERIVATION CARDS **
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what is the Coulomb integral
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what is the Resonance integral
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draw the potential energy curve for nuclear repulsion and electronic binding energy of bonding MO
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draw the potential energy curve for nuclear repulsion and electronic binding energy of anti-bonding MO
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evaluate the accuracy of the LCAO approximation
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define a molecular orbital
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what is Stark Splitting
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what is the orbital approximation
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what is the Pauli exclusion principle
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what is the general formula for defining Molecular Level Symbols
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what is the Schrödinger equation for H2 with the total wavefunction
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what is the Schrödinger equation for H2 with the spacial wavefunction
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what is the condition for electron positions in the spatial wavefunction
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what are the consequences of the orbital approximation
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** come back to this after improving consequences of orbital approximation section in summary sheet **
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what is the valence bond wavefunction for H2
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evaluate the use of the valence bond wavefunction
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write an equation for the electronic wavefunction of H2 combining MO and VB wavefunctions
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what does the orbital approximation predict about the energies of different terms of the same electron configuration of a molecule
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why are the energies of different terms of the same electron configuration not degenerate
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what is the variation principle
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derive the approximate wavefunction for general n-electron molecule using the variation principle
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what are the general rules of bonding in diatomic molecules
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what is the non-crossing rule
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draw the MO diagram for O2 and upwards
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what is the limit of large penetration
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draw the MO diagram for N2 and downwards
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what is the limit of small penetration
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what is the electron configuration of O2
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what are the different term symbols of the ground state configuration of O2
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what are Hund’s rules
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compare the low lying states of C2
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what is the general formula for defining Molecular Term Symbols
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draw the MO diagram for linear AH2
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draw the Walsh diagram for bent and linear AH2
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what are the approximations of Huckely Theory
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what is the equation for charge density on atoms in a molecule
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what is the resonance stabilisation energy in Huckel Theory
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what is the equation for bond order of a MO
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what is the strength of hyperfine coupling to protons proportional to in ESR of radical cations
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what is the equation for the energy change attack of the attack of delocalised system
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why is attack at terminal position of delocalised systems energetically favourable
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draw the general MO diagrams for CnHn systems n=3,4,5,6,7,8
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derive the general expression for MO energy of even-membered rings
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drive the general expression for MO energy of odd-membered rings
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what is perturbation theory
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what is the equation for first order perturbation theory
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what are the two categories of ring opening
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draw the correlation diagram for conrotatory and disrotatory ring-opening of cyclobutadiene
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what are the Woodward-Hoffmann rules based on
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** DERIVATIONS **
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