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Yr2 Physical > 2.HT Valence > Flashcards

2.HT Valence Flashcards

1
Q

what is the Hamiltonian for a single electron atom

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2
Q

what is the Hamiltonian for Hydrogen molecule

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3
Q

what is the Born Oppenheimer approximation

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4
Q

what is the electronic hamiltonian for single electron atom

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5
Q

what is the general Schrödinger equation for electronic motion

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6
Q

what is the general Schrödinger equation for nuclear motion

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7
Q

derive the Schrödinger equation * REMOVE DERIVATION CARDS*

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8
Q

what causes the Born-Oppenheimer approximation to break down for non-adiabatic behaviour

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9
Q

draw the potential energy curves for Li+/H- and Li/H, and annotate with covalent and ionic behaviour

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10
Q

what is the Hamiltonian for H2+

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11
Q

what is the LCAO approximation

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12
Q

derive the value of the orbital coefficients for H2+
** REMOVE DERIVATION CARDS ***

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13
Q

draw the electron density distribution for bonding H2+ MO

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14
Q

draw the electron density distribution for anti-bonding H2+ MO

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15
Q

derive the orbital energies for H2+ ** REMOVE DERIVATION CARDS **

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16
Q

what is the Coulomb integral

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17
Q

what is the Resonance integral

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18
Q

draw the potential energy curve for nuclear repulsion and electronic binding energy of bonding MO

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19
Q

draw the potential energy curve for nuclear repulsion and electronic binding energy of anti-bonding MO

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20
Q

evaluate the accuracy of the LCAO approximation

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21
Q

define a molecular orbital

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22
Q

what is Stark Splitting

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23
Q

what is the orbital approximation

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24
Q

what is the Pauli exclusion principle

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25
Q

what is the general formula for defining Molecular Level Symbols

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26
Q

what is the Schrödinger equation for H2 with the total wavefunction

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27
Q

what is the Schrödinger equation for H2 with the spacial wavefunction

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28
Q

what is the condition for electron positions in the spatial wavefunction

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29
Q

what are the consequences of the orbital approximation

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30
Q

** come back to this after improving consequences of orbital approximation section in summary sheet **

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31
Q

what is the valence bond wavefunction for H2

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32
Q

evaluate the use of the valence bond wavefunction

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33
Q

write an equation for the electronic wavefunction of H2 combining MO and VB wavefunctions

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34
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35
Q

what does the orbital approximation predict about the energies of different terms of the same electron configuration of a molecule

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36
Q

why are the energies of different terms of the same electron configuration not degenerate

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37
Q

what is the variation principle

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38
Q

derive the approximate wavefunction for general n-electron molecule using the variation principle

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39
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40
Q

what are the general rules of bonding in diatomic molecules

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41
Q

what is the non-crossing rule

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42
Q

draw the MO diagram for O2 and upwards

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43
Q

what is the limit of large penetration

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44
Q

draw the MO diagram for N2 and downwards

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45
Q

what is the limit of small penetration

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46
Q

what is the electron configuration of O2

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47
Q

what are the different term symbols of the ground state configuration of O2

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48
Q

what are Hund’s rules

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49
Q

compare the low lying states of C2

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50
Q

what is the general formula for defining Molecular Term Symbols

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51
Q

draw the MO diagram for linear AH2

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52
Q

draw the Walsh diagram for bent and linear AH2

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53
Q

what are the approximations of Huckely Theory

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54
Q

what is the equation for charge density on atoms in a molecule

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55
Q

what is the resonance stabilisation energy in Huckel Theory

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56
Q

what is the equation for bond order of a MO

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57
Q

what is the strength of hyperfine coupling to protons proportional to in ESR of radical cations

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58
Q

what is the equation for the energy change attack of the attack of delocalised system

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59
Q

why is attack at terminal position of delocalised systems energetically favourable

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60
Q

draw the general MO diagrams for CnHn systems n=3,4,5,6,7,8

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61
Q

derive the general expression for MO energy of even-membered rings

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62
Q

drive the general expression for MO energy of odd-membered rings

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63
Q

what is perturbation theory

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64
Q

what is the equation for first order perturbation theory

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65
Q

what are the two categories of ring opening

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66
Q

draw the correlation diagram for conrotatory and disrotatory ring-opening of cyclobutadiene

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67
Q

what are the Woodward-Hoffmann rules based on

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68
Q

** DERIVATIONS **

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Yr2 Physical (5 decks)

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