Lecture 14 Flashcards
boxed wave functions
for a particle in a box
sine waves locked on a line
energy increases as the number of nodes increase
wavefunctions
for atoms = complicated
can have direction (px,py,pz)
spherical symmetry
molecules have shapes
LCAO
linear combination of atomic orbitals
schrodinger’s equation
solution of the equation can be approximated by combining the combination of the solution wells
combine them by positive or negative
hydrogen
1s orbital
the solution to H2+ as the sums and differences of two !s orbital (LCAO)
look at diagram
constructive interference
more delocalisation, low energy, bonding orbitals
destructive interference
less delocalisation, higher energy, antibonding orbitals
bonding orbitals
adding electrons, strengthens the bond
antibonding orbital
adding electrons, weakens the bond
MO diagram
check notes
bond order
1/2 (BO - ABO)
LCAO rules
% of spatial overlap between orbitals, stronger the bonding
better energy match between orbitals, stronger the bond