Principles of Chemistry

CHEM 101
Lecture 6

1
 2 2 me = mass of electron
n
rn =
Z = charge on the nucleus
2 E = charge on electron
ZKe me n = Principal quantum number
n = 1,2,3,4,5…
h = Planck’s constant
1 rn = radius of nth orbit
K= εₒ = permittivity of free space
4 0

ℏ2
𝑟1 = = a0 = Bohr’s radius = 5.29×10−11m = 52.9 pm
𝐾𝑒 2 𝑚𝑒

𝑛2 Can calculate the radius (rn) of any orbit

𝑟𝑛 = 𝑎0 of any single electron atom or ions.
𝑍 Examples: H or He+ or C+5 or U+91
Orbitals – Hydrogen Atom
Behavior of the electron – not the overall motion of whole hydrogen atom
Assumption: Nucleus is stationary and positioned at the origin, and then let the electrons revolve around
the nucleus.
Electron is held to the nucleus – electrostatic interaction.
electron

Coulomb potential
r

Potential energy
Nucleus
where r is the distance Spherically symmetric
between the electron potential energy of the
and the nucleus. electron varies as -1/r, The 1s orbital
 r 
wavefunctions themselves are not necessarily spherically symmetric and  1s ( r ) = N1s exp 
 − a 
can depend on both the distance from the nucleus and the direction.  0
The 1s orbital, the lowest energy wavefunction, depends only on the distance r between the electron and the
nucleus.
The 1s orbital
 r  r=0 r = 0, exp(-0) = 1
 1s (r ) = N1s exp −  r = a0 r = a0, exp(-1) = 0.369
 a0  r = 2a0 r = 2a0, exp(-2) = 0.135
r = 3a0 r = 3a0, exp (-3) = 0.0497
a0 is a length and is called the Bohr radius = 52.9 pm
N1s = Normalization constant

x y
Nucleus

4
The 1s orbital z
V r

Probability of finding the

y electron in a thin shell of
x radius r and thickness  r.

Probability of being in vol  V =

[(x, y, z)]2  V Area of a sphere of radius r = 4 r2

prob. Density volume
Volume of a shell of radius r and thickness r = 4 r 2   r =  V
Probability of electron in volume V = [1s(r)]2  4 r2   r
Radial distribution function (RDF) P1s (r) = [1s(r)]2   V
RDF P1s (r) = 4 r2  [1s(r)]2

1. [ 1s (r )]
2
If  r is kept constant, then RDF
2
depends only on two terms: 2. r
The 1s orbital RDF P1s (r) is = 4 r2  [1s(r)]2
1. [ 1s (r )]
2
2. r 2

1
0.369
[1s (r)]2
0.135
r2 The 1s orbital
0.0497

r
0 a0 2a0 3a0

P1s (r) = [1s (r)]2  4 r2

 r 
 1s (r ) = N1s exp − 
 a0  Most probable radius = a0
RDF

= Bohr’s radius = 52.9 pm

r 6
0 a0 2a0 3a0
Hydrogen Atomic Orbitals Schrödinger equation – wavefunction and energy levels are characterized
by a particular set of numbers – quantum numbers: Form and Energy.

1. Principal quantum number (n) 2. Orbital angular momentum quantum

number (l )
l=0=s
n = 1,2,3,4,… l = n-1 down to 0 l=1=p
l=2=d
l=3=f
3. Magnetic quantum number (ml )
ml = + l to - l in integral steps

ml = + l 0 -l = 2 l +1