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AtomicStrucure Slides

The document discusses the structure of atoms based on quantum mechanics. It describes how the Schrodinger equation can be solved for hydrogen-like atoms to determine allowed energy levels and orbitals. The key concepts covered are electron configuration, quantum numbers, radial and angular wavefunctions, and selection rules for atomic transitions.

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24 views17 pages

AtomicStrucure Slides

The document discusses the structure of atoms based on quantum mechanics. It describes how the Schrodinger equation can be solved for hydrogen-like atoms to determine allowed energy levels and orbitals. The key concepts covered are electron configuration, quantum numbers, radial and angular wavefunctions, and selection rules for atomic transitions.

Uploaded by

samebalut
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Download as PDF, TXT or read online on Scribd
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THE STRUCTURE OF ATOMS

(Focus 8)
(Focus 8)
THE STRUCTURE OF ATOMS

• Description of the arrangement of electrons in


atoms.
• Basis for understanding the structures and properties
of elements and their compounds.

For the Hydrogenic atoms (H, He+, Li2+, C5+, U91+ etc), the
Schrödinger equation can be solved exactly.

These concepts are used to describe structures of many-


electron atoms and molecules.
Solution of Hydrogenic atom problem
Two-particles, 3D system
Potential energy (V) =
Solution of Hydrogenic atom problem
Schrodinger eq. for this problem is better solved in
spherical polar coordinate system with proper
boundary conditions.

r ≥ 0,
0° ≤ θ ≤ 180° (π rad),
0° ≤ φ < 360° (2π rad)
Eigenvalues of Hydrogenic atom
Allowed energy levels:
 h cRZ 2
En 
n2
n=1,2,…principal quantum no
e4 mem N
h cR   
3 2 2 0  2
2 me  mN
µ is the reduced mass
En values are all negative, i.e.
electron in an atom has lower
energy than when it is free.
For a transition:
 hcR hcR 
 E  E 2  E1   2  2  Ionization energy:
 n1 n2  I=hcR
This energy is carried away by a photon.
Eigenfunctions of Hydrogenic atom
The wavefunctions (called atomic orbitals) can be written as
the product of radial and angular functions:
 n ,l ,m l
( r ,  ,  )  Y l ,m l ( ,  ) R n ,l (r )
n, l and ml are quantum numbers arises due to restrictions
(boundary conditions)
•Principal Quantum number (n), n = 1, 2, …
Quantization of energy
•Orbital angular momentum Quantum number (l), l = 0, 1,…,n-1
Quantization of angular momentum magnitude (L)
L  l(l  1) l = 0,1, 2,…, n-1

•Magnetic Quantum number (ml), ml = l, l-1, … , -l


Quantization of angular momentum direction
L z  m l m l  l , l  1 , l  2 ,............, l (2l  1)
values
Shell Structure of Hydrogenic atom
S-Orbitals
The solution of Schrödinger equation gives ( n  1, l  0 , m l  0 )
1/ 2
1  4   r / a0 4  0  2
 1s   3 e Bohr radius a 0 
 4 
1/ 2
 a0  mee 2
r
1
 1
e a0

 a 
0
3 2

Ψ1s decays exponentially towards


zero from its maximum at the
nucleus

s-orbitals are
spherically symmetrical
Probability of finding electron
Hydrogenic atom  n ,l ,m l
( r ,  ,  )  Y l ,m l ( ,  ) R n ,l (r)
What is the probability of finding the electron in
a region of space with its coordinates lie in the
ranges r to r + dr, θ to θ + dθ, and φ to φ + dφ?
Probability =

Now, What is the probability of finding the electron in


a thin spherical shell centered at the origin, of inner
radius r and outer radius r + dr ?
The probability =
Surface area= 4πr2,
thickness= dr
So Prob =
Radial distribution function P(r)
Probability of finding the electron between two spherical
shells of thickness r and r+dr
 P ( r ) dr Where, p ( r )  r 2 R ( r ) 2
For spherically symmetric orbitals, p ( r )  4 r 
2 2

The RDF gives the


probability that an
electron will be
found anywhere in a
shell of radius r and
thickness Δr
regardless of angle.
Other Hydrogenic Wavefunctions
 n ,l ,m ( r ,  ,  )  Y l ,m l ( ,  ) R n ,l (r )
The p-orbitals (l = 1): l

1/ 2
1 1 
1/ 2
 3  r r /2a 0
2pz    cos    3  e
 4  2  6a0  a0
1/ 2
 1 
 5 
r co s  e  r / 2 a 0
 3 2  a 0 

2px → sinθ cosφ 2py → sinθ sinφ

The d-orbitals (l = 2):

See
Table
8A.1 for
more
orbitals
Other Hydrogenic Radial Wavefunctions

Orbitals have (n - l -1) radial nodes.


Electron spin
Stern & Gerlach (1921) shot a
beam of silver atoms through an
inhomogeneous magnetic field.
The observation seems to conflict
with one of the predictions of QM.

The observed angular momentum was due to the motion of the


electron about its own axis (and not due to orbital motion).

This intrinsic angular momentum of the electron is called its spin.


It is a quantum mechanical phenomenon -no classical
counterpart.
Electron spin is described by spin quantum number (s = 1/2).
With magnitude =
With components:
Electron spin
•Two allowed spin states of electron
ms (+1/2 or -1/2)

•The magnitude of the spin angular


momentum is (31/2/2)ħ

• Directions of spin are opposite

ms=+1/2 α electron ms=-1/2 β electron

Spin can be clockwise or


counterclockwise
Spectrum of Atomic Hydrogen

Discrete lines
electron energy in H-atom
is quantized

Bohr frequency
 1 1  n1= 1, 2, condition
  R H  2  2 
Rydberg :
n2= n1+1, n1+2,….
 n1 n 2  RH=Rydberg constant ΔE  hν  hcv
n1 =1 Lyman, n1 =2 Balmer, n1=3 Paschen,
n1=4 Brackett, n1=5 Pfund

During a transition, a photon (with its one unit of angular


momentum) is generated.
Selection rules for transitions
To compensate for the angular momentum carried away by
photon, the angular momentum of electron must change by
one unit.

 l   1 m l  0,1 d(l=2) s(l=0) Not allowed


s(l=0) s(l=1) Allowed

Transition dipole moment

 s    f   id 
μs ≠ 0, transition is allowed
The Grotrian Diagram μs = 0, transition is not allowed

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