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Lecture 6 CHEM 101 Fall 2023

1) The 1s orbital of the hydrogen atom is spherically symmetric around the nucleus and depends only on the distance (r) between the electron and the nucleus. 2) The radial distribution function (RDF) of the 1s orbital, which represents the probability of finding the electron at a given distance (r) from the nucleus, depends on the square of the 1s wavefunction and r2. 3) The most probable radius for finding the electron in the 1s orbital is the Bohr radius (a0 = 52.9 pm), which corresponds to the lowest energy state of the hydrogen atom.

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0% found this document useful (0 votes)
22 views

Lecture 6 CHEM 101 Fall 2023

1) The 1s orbital of the hydrogen atom is spherically symmetric around the nucleus and depends only on the distance (r) between the electron and the nucleus. 2) The radial distribution function (RDF) of the 1s orbital, which represents the probability of finding the electron at a given distance (r) from the nucleus, depends on the square of the 1s wavefunction and r2. 3) The most probable radius for finding the electron in the 1s orbital is the Bohr radius (a0 = 52.9 pm), which corresponds to the lowest energy state of the hydrogen atom.

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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

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