In: Chemistry
Particle in a box: given the number of carbon atoms, and the wavelength. How do I find the highest filled orbital, the lowest unoccupied orbital, and the box length. (ex. # of C atoms = 4, wavelength = 508.9nm. HFO = ?, LUO= ?, Box length = ?nm
L=√[(hʎ/8mc) (n^2-n^2 )] I believe I need to use this equation to find the box length. I just don't know how to find what the n values are.
Since this experiment only deals with unbranched hydrocarbons
where the number of pi-electrons is equal to the total number of
carbons in the system, thus for a system of 4 carbon atoms there
will be 4 electrons. A system
of unbranched hydrocarbons having 4 carbon atoms with 4
electrons
corresponds to that of butadiene. Since each carbon is sp2
hybridized, each carbon has one unused p orbital. All the 4 p
orbitals combine to form 4
-orbitals as shown
below:
Each -orbital can
accomodate 2 electrons. So 4
electrons can be
accomodated in 2
-orbitals. Thus, n=2
for HFO and n=3 for LUO.