CY 101- Chemistry
Atomic Structure
Dr. Priyabrat Dash
Email:
[email protected]Office: BM-406, Mob: 8895121141
Webpage: http://homepage.usask.ca/~prd822/
Dr. Priyabrat Dash
Email:
[email protected]Office: BM-406, Mob: 8895121141
Webpage: http://homepage.usask.ca/~prd822/
Dr. Priyabrat Dash
Email:
[email protected]Office: BM-406, Mob: 8895121141
Webpage: http://homepage.usask.ca/~prd822/
Hydrogen atom
Hydrogen has special significance
•No approximation is required in solution of Schroedinger equation
•Can get expression for energy levels
•Spectral frequencies can be deduced
Since MN>>Me, the nucleus can be considered to be at rest
For H atom the Schrödinger wave equation can be written as
Ĥψ=Eψ
[- (h2/2m){2x2 +2y2 +2z2} +V] =E
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The potential, V between two charges is best described
by a Coulomb term,
V= - q1q2/ r
(ħ2/2m 2 +Ze2/r ) ψ = E ψ
It is convenient to describe the solutions to the Schrödinger
equation in spherical polar coordinates (r, ,) rather than
cartesian (x,y,z)
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The Schrödinger equation in spherical polar coordinate is
h2 1 2 1 1 2 e2
2 r 2 Sin 2 2 2
E
2me r r r r Sin r Sin 4 0 r
This equation can be solved by separation of variable technique
ψ(r,,) = R(r) ()() Radial part
ψ(r,,) = R(r)() () Angular part
ψ(r,,) = R(r) ()() Angular part
Solution may be a product of three functions.
ψn,l,ml(r,,) = Rn,l(r)Yl,ml(,)
where Rn,l(r) is called the radial part of ψ, and
Yl,ml(,) its angular part.
The wavefunction of the electron in the hydrogenic
atom is called an atomic orbital. An orbital is a one-
electron wavefunction.
Electron described by a particular wavefunction is
said to occupy that orbital.
Atomic orbitals specified by three quantum numbers
n, l, and ml.
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Orbital angular momentum = [l(l+1)]ħ
Principal quantum numbers, n: Energy Levels
The energy levels are
En = e4Z2/32ħn2
= hcRZ2/n2 where
Where R = (e4/32ħ)/hc
Energy is –ve stabilization effect
Higher the value of Z more
stabilization
When n increases energy
increases
Solution : Some example
For l=0, ml =0
For n=1, l =0
3 1
1 2
1 2
R(n,l) = 2 e 2 Y l, ml (,)=
a0 4
Y is a constant and does not depend on and
For a given radial distance, same value of probability is
observed at all directions from nucleus
S-orbitals are spherically symmetrical
Solution :
For n=2, l =1 For l=1, ml =0 , +1, -1
1
3 3 2
R(n,l) = 1 1
e 4
2
Y1,0 ( , ) cos
4 6 a0 4
1
3 2
sin e i
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The angular variation of wavefunction depend on cos .
The probability density is proportional to cos2.
The probability density has maximum value along an
arbitary axis (z-axis) on either side of the nucleus
( at = 0 and 180o)
Atomic Orbitals
• Principal Quantum Number (n) = the
energy level of the electron.
• Within each energy level the complex math
of Schrödinger's equation describes several
shapes.
• These are called atomic orbitals
• Regions where there is a high probability of
finding an electron.
S orbitals
• 1 s orbital for every energy level
• Spherical
shaped
• Each s orbital can hold 2 electrons
• Called the 1s, 2s, 3s, etc.. orbitals.
P orbitals
• Start at the second energy level
• 3 different directions
• 3 different shapes (dumbell)
• Each can hold 2 electrons
D orbitals
• Start at the third energy level
• 5 different shapes
• Each can hold 2 electrons
F orbitals
• Start at the fourth energy level
• Have seven different shapes; 2 electrons per shape
