ATOMIC STRUCTURE (LECTURE # 10)

(A) Schrodinger Wave Mechanical model

Ervin Schrodinger developed a model which is based on the particle and wave nature of the
electron, known as Wave Mechanical Model of atom.
The equation determines the behaviour of the wave function that describes the wave like
properties of subatomic system. It is solved to find the different energy levels of the system.
Schrodinger applied the equation to the hydrogen atom and predicted many of its properties
with remarkable accuracy. The differential wave equation is as follows :
 2  2 2 8 2m
  (E  V )   0

x 2 y 2 z 2 h2
where m is mass of electron,  is wave function, E is total energy of electron, V is potential energy
and h is Planck's constant.
 Wave function has no actual physical meaninig but the value of 2 describes the probability
distribution of an electron.
 When we solve the Schrodinger equation, it is observed that for some region of space, the value
of is positive and for other, it is negative. But the probability must be positive, so it is proper to
use 2 in place of .
 The Schrodinger equation is said to have been solved for a particular atomic system. The details
of, how this is done, are beyond the syllabus, but the consequences of its solution are extremely
important to us
The important point of the solution of this equation is that it provides a set of numbers called
quantum numbers.
Quantum numbers are required to describe the distribution of electrons in atoms.
Quantum numbers derived from the solution of Schrodinger equation are called principal quantum
number, azimuthal quantum number and magnetic quantum number.
These quantum numbers are used to describe the atomic orbitals.
Orbital : The locations in space at which the probability of finding the electron is maximum.
Node and Nodal Plane : Node represents the region where probability of finding an electron is zero (i.e.,
 and 2 = 0). Similarly nodal plane represents the plane having zero probability of finding elec-
tron.

The 2p-orbitals of the hydrogen atom.

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 The 3d-orbitals of the hydrogen atom.

 (r) i.e. radial part of wave function depends upon quantum number n and l and decides the size
of an orbital.
 Angular part of wave function (– ), depends upon quantum numbers l and m and describes
the shape of orbital.
For the sake of convenience the (r) vs. r and ( , ) vs. angle are plotted seperately.
An atomic orbital is a one electron wave function  (r, , ) obtained from the solution of the
Schrodinger equation.
The orbital wave function  has no physical significance but its square (2) has a physical signifi-
cance it measures the electron probability density at a point in an atom.
 The Schordinger equation can also be written in terms of spherical polar coordinates (r) in
addition to Cartesian coordinate x, y, z.
Since, H-atom posses spherical symmetry,  it is easier to solve schordinger equation if it is
represented in polar coordinate.
z
z  r cos 
r cos 

x  r sin  . cos 
y  r sin  sin 
 r
y
 r sin

x
x 2  y 2  z 2  R2
When schordinger equation in polar coordinate is solved for H-atom then the solution obtained
can be expressed as

  r . . 

 r represents radial wave function which depends on n, .

  .   Angular wave function which depends on m, .

 (Psi) : [Wave function or Amplitude of Electron Wave]

It is also known as atomic orbitals. It is a mathematical function whose value depends on

coordinates of electron in an atom. It may be +ve or –ve depending upon value of coordinates
and it has no physical significance.

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(B) Significance of Radial wave function (R) or 
In all cases R approaches zero as r approaches infinity.
We finds that there is a node in the 2s radial function.
At the node the value of the radial function changes from positive to negative.
In general, it has been found that ns-orbitals have (n–1) radial nodes and np-orbitals have (n–2)
radial nodes etc.

Note: An orbital in an atom can be represent as nlm. Where n, l, m are quantum numbers which have
their general meaning.
Orbital representation n l m
1s 100 1 0 0
2s 200 2 0 0
2px / 2py / 2pz 210/211 2 1 –1, 0, +1
3s 300 3 0 0
3px / 3py / 3pz 310/311 3 1 –1, 0, +1
3dx2y2 / 3dz2 / 3dxy/3dyz/3dxz 320/321/322 3 2

(C) significance of Radial Probability density (R2) or 2

r

The radial density R2 gives the probability density of finding the electron at a point along a
particular radius line.
It may be noted that for s-orbitals the maximum electron density is at the nucleus while all other
orbitals have zero electron density at the nucleus.
Its zero value (R2 = 0) indicates zero probability of finding an electron.

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(D) Significance of Radial probability function 2 × 4r2dr
Since the atoms have spherical symmetry, It is more useful to discuss the probability of finding the
electron in a spherical shell between the spheres of radius (r + dr) and r.
The volume of the shell is equal to 4/3(r + dr)3 – 4/3r3 = 4r2dr.
As discussed earlier that 2 gives the probability distribution for electron with respect to the
nucleus. In order to understand the concept of radial probability let us assume that the space
around the nucleus is divided into large number of concentric shells of thickness dr.

 Volme of the sphere   Volme of sphere 

So,volume of the radial shell =   –  
 with radius (r  dr )   with radius r 
4 4
=  (r + dr)3 – r3
3 3
4 4 3
  r  3r dr  3r (dr )  ( dr )   r
3 2 2 3
=
3 3
=  × 3r2dr = 4r2dr [Since (dr)2 and (dr)3 are very small and can be neglected]

Now radial probability = probability density × volume of the radial shell = 2 × 4r2dr

5
16

14
4
12 node

10 3
8

6 2

4
1
2
0
0 1 2 3 4 0
0 1 2 3 4 5 6 7 8 9
r/a0 r/a0

; ;

This probability which is independent of direction is called radial probibility and is equal to [4r2drR2].
It gives the probability of finding the electron at a distance r from the nucleus regardless of
direction.

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Ex. Which of the following symbols represent an atomic orbital ?
(A)n, , m = Rn  m (B)n, , m = Rn,   m
(C)n, , m = Rn ,m m (D*)n, , m= R n, ,mm

Ex. Probability of finding the electron y2 of ‘s’ orbital does not depend upon
(A) distance from the nucleus (r)
(B) energy of ‘s’ orbital
(C) principal quantum number
(D*) azimuthal quantum number

Ex. The schrodinger wave equation for hydrogen atom is

3
2
1 1 r a0
2s 2 e
4 2 a0 a0
where a0 is Bohr’s radius. If the radial node in 2s be at r0, then r0 would be equal to:
a0 a0
(A) (B*)2a0 (C) 2a0 (D)
2 2

Ex. If 0.53 Å is Bohr’s radius for the first orbit. It suggest in the light of the wave mechanical model
that
(A*) the product of 2 and 4r2dr increase till it reaches at the distance of 0.53 Å
(B) only 2 goes on increasing, 4r2dr remains constant till it reaches at the distance of 0.53Å
(C) 2 goes on increasing , 4r2dr goes on decreasing till it reaches at the distance of 0.53Å
(D) only 4r2dr goes on increasing , 2 remains constant till it reaches at the distance of 0.53Å
Ex. Identify the correct statements-
(A) An electronic wave function must be symmetrical with respect to the interchange of any two
electrons
(B*) 2 must remain unchanged when the spin and space coordinates of the paired electrons are
interchanged
(C*) For an n electron system the wave function  will be a function of 3 n spatial coordinate

(D*) Antisymmetrical wavefunction are found to represent the properties of electron.

Ex. The probability distribution curve for 2s electron appears like –

R2 R2
(A*) (B)
r r

R
2
R
(C) (D*)

r r

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 3/2
11 r r /a0
Sol. 2s = × × 2 e
4 2 a0
a0

2
r 2r /a0
2 2 e
2s = K a0

Ex. Column I Column II

(A)  310 (p) 5 f
(B)  120 (q) 3 p x or 3 p y
(C)  530 (r) 3 pz
(D)  311 (s) impossible

Ans. A-r; B-s; C-p; D-q

EX. Column I & Column II contain data on Schrondinger Wave-Mechanical model, where symbols
have their usual meanings. Match the columns :-
Column I Column II (Type of orbital)

r
(A) (p) 4s

 r 4 r
2 2

(B) (q) 5px

(C)  () = K (independent of  & ) (r) 3s

(D) atleast one angular node is present (s) 6dxy
Ans. A-p; B-pqs; C-pr; D-qs

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