l 9 0 6 a 0 a /

Quantum Chemishzy
Photoelechic elhch
Wlben a bgbt photon of a poblicularsequency h
'hits on e in o metal if transers ite enkrgy
to quamum energymtas
ho' to the e. e uses
Overcome the enerqy 'w'hat binds it in metal to and to ases
its cwn KE. (%)
i.e. d=Wt ymy
Plank's quanlum- E =hv 1)
E
he
-

Energy oh pholon
pholon -rovelling with the Speed o ught hos a mass m or energy

ltaseddo it
E =me2 (n)
According to egn (a) 0 Cu)
(1)
Wave Hheoryigh sequeny is velandio the wovekngh by
equatfon
VA = C

mel:9: mom ep t
Hrt, P- momelum ot pholon
P AwOve length.
De broglie Consiant
Liqht has dual choracter i-e. wave characher as well as particle chom
cler. Accordig Ho this concept de Broglie states that all moterial obrch
have dual nakure.
ec.
ANoms ok matter ie. Cs,protons, nevdrons , adom 8, mole cudes
hav' dual characher.
b Wove lanqth A associard wrth a particle oh moss 'm mavingu
velocity v gtven by he selation,

-
/ m
planckK's Constant
v
66 21 Kx fo-3 Ts C6)
m o particde.
mass G:627X 1o-7 enqs( Cos)
V veloaty oh particde
A de Bebqlie wove lencth.
 Heisenbezg's Uncerlainityinciple
itis imposstble io measuse Simutanecusly
Accor ding to pinopkmomenlum (velociy) oa microscopic partici
,

and
both the fositioh
with absolute accuracy.
(An) omd uncertáinttu .

Produch o uncer-fainity posilion

Eatie
posonvel
if, wmealr
alfty Actls,haOli1 the
Atmukcunepu"
1s
(APM
momentum hen we ttr gct on C e th hat e
A. AP Vun uhere, AV= UNcer tainity velocity
An (mav) 7 ux M mass oh an"e
2800
Schsodingur wove equaion
use oh the, ideat o
de Broglie- húsenber9
-

Sch rodinger made Bohr's Kxed orbit's in mathe

a' maical
uncertainTHy painciple, & Schrodinger
di Hereniialequation wos developed ie
known a

wove equatíon.
CClassicad wave equafion)
ASin a7
uhere, Y =wave uncHon
A max. vadur o V
A w a v e length o siandinq
wave

disiante "ok parick rom -he nucleus

t
Dilerendiating enti) wrt
d- ACos ax ) = 2ACosan. -
Again dilkerentiating eqn()
w»rt

-sin a7)
-uxA sioaR

-4 [:y ASin- -om eoo

Eqtnd epreienis
wove motion o ary poslicle adong x
-oxis
move adong y z axis.
9the e is considered lo

Laplací an operador
4y -

De broglie equalion.

mV

Squaing boih eide

m2y

(1v)
Poting he value o on e
-v
My

mv=- v*yh2
uRyM
MuHiply h on brih side,
ymv-y
8x2ymn

KE -vyh

-872 2P.KE
 h2

v 8R*M KE O
We KOO
ETola= KE +PE
E =KE +PE
E KE +V
KE E-V
Hting KE Value in egn iv)

Thic equaion is kpown as &chsodinger uave equation.

 Operator
An operator is a
symbol or on opesation which convert
oneunchon
inio anolher.

9 i s an operalor eoha n - {"t)

An opraBor is depsesenied by ACcap over head
9A denoles on operalor irans korms he nctx) inmo the union
gCx)we can waite Ax) gtx)

A1geba oerator can be added, subs

operators donot have ony physical meoning. "Thy
Hrachd , muHiplied hove söme other properies"
Addition and SubslracHon
The addition or svbslracion ok operator yiedd new operoHoYs The Sum
operaiors ie. (A B) {t =
Aftx) + B-{tx
or dilherence of

( ) MoHiplication lbe kuo opesa-

means operation by
MuHiplicadion of tuo operotors to
Hors one ofer -the other he operatfon being om icht let

X
So, (a*) = y (3ax) = 12ax
d
05002

Postulale s
mechanics.
here are 5 poslulates ok quanlom
Postulate-1
in lesms cha onchonn o
The oh a microsystem is described
stabe
wave (uncion(y).
posilion coordinates ahd ime calltd
The stale o a microscopie porticle Complelely delined byaundior
and
(7) Ct).
ime
ospace coordinae
where, T =. y
the untion is aepreseled as V

ostulate -2-
Un claxical
tor every observable i.e. physical measurable quoo
me chonic's there exici operoio in Quantum mechanícs.
Momentum cperotor Co-Ordina
The Kinettc potenlial and toial enerquies ore derivedom
momenlum and posilion
A enp )

Dilerenioing wt x
(Ri)
-
de-Broglie velationship

Po
Putting the value o A tn eq^C

But is a yncHon Bo it is emoved om equafion.

d
The operator P in Hhe + disecHon is d

P in the
- direchon is - d
 NName
Classical mechonics Quantum mechanicy
observable (symbol) symbol (operador) Operallon

Pasitfon Muiy by
munipy by
MomenHum P -it
Kinetic Kn -
ene
Potential V(n) Ve Muttipty by Vin)
eneray
Tota
eneray
E -R + V()
Anqulor
momenHum Ln

HamilHonian operaior
The operaior corresponding to the total energy ol a aystem wriHen
as a sum oKinetic ond potëntiad energies is calfe& HamiHonion operaior
'm',
CA
The doal energy oha single porticle o
moxs

A +V(M:y.)
am )

P+P+P).+
am
-0
V is witten Ho Vxiy.x).

( f + ++ m

But, =( R ( i --1)
SimilorlyR - and
dya
"h -h
8m dw
)+? 8xm +°
 /Eican dur 8gitvalu
Poslulatt-3- (Short 9 valuu unchim.
The poseible value o ony physicad quanytity energy angular
momemom are ging dhe elgen value o t the
operaHor, eq.
Ay ay -0
A operalos
V eigen unction.
Each 6ingle measurement ok a pbtisie-Aantily phyical quontiy
A gives on eiqen vaJue of a of operdior
Sh A is Hesmilian cperálor = A, eiqen vadue wit give thot
Holal eneM E

i. HyEy- DEigen Value equation)

Consider or xamplt he operator equatfon or omelum

P Cin 10

This is an ordinary dilkrenHial equation tuhose soltion may be

easily oblained os
(t2Rta,M
A e hh eiqen Value
where A Constant
| Any value o P is allowed thot uncHon x ill behavead.
i.nite, single valued and continuous.
we pul, 2=K
h
hen equation w beromes.
A etikm)

eigen Value is P= h
 Fostulae-y
The average value (A> O observable 'A CoT res pondng b the
he relaltion.
operalor 'A" is obained gom
A>= y"Ayd AY Average Vadue

ostula-5 a b0ear"Hermilion"
lo every observable there coTes pondence
HermiHian i it eaiy
A is Said Ho be
operator (A). An operalor
Hheoliouwing Condition.

Ayd Y, (aY)de the physical

uwave ncions tepreseniing
where vi b vi are he an aBom "or o mokaule.
8uch oas pariicle.
of the quanlum Sysiem
States

Q.[PaJv

dy nay+
h n -

h n Y
Schodinger wavu equotion in 1-D box (Long- Quution
Le us consides a porticle of mass M in 1-D box o length "l' So,
Hhat the posilfon of he box is x=o another end is - l ,he po Hde
4 bex is = e Ho be Considered moving înside the box eo
4 a Hs polenlial energy V=0 ineide he box V= bo ow 6ide ihe.

box
= O V= O

O V be
V O ,

L V= ©
L V=bo
=L
We HarmiH
ie. con
con apply eign
Ian ond value
eiqn equaion
{uricion daking
(p) ef toBad
thepar ticle enoroy operator

The eiqun vaue equaion is Hy = Ey

becavse the box
The pariicde is considesed o move in - direchon
is 1-b
KE +PE
-h
=

87m d y + V

or porfide inside he box, V-o

S, -h
9m d
romequation-|
8Rm d a - E y =o
d t8 7 m Ey 0

But Laxing - 8T E
Then + Ky o
We know that.
A Sin Kat BCos K

ushenO =O 0
So, O ASino tBCoso B-0
when. =L V 0
O ASinKL

A Constant A#0
So SinKL 0 8in Sinn 7
SinKL -Sin na
KL n 8ind 8in A
A
K nA

Squaring both sides,

K L2
Potting the value K* in equaion

m ° 2
E =Dh2

8mL2
Sn ground state n- 1

8o E 8 ml2
Sn ist xcittd slate n= 2
E Y2 =
E 8mL aml2

Sn and excited state n3

E
8ml
9n 3rd xcited Gtate n=y

E 8mL2
 in beween ad and 3d excited Stae
Dikerence ener9y

IGh qh IGh-9h
SmL 8m2 8mL2
8ml
Energyevd -

6 energy evelsor the pasticle

In a 1-D box
En- 0 h
8ml2
O-1

The qumdisation o energ grophically 8houn in honzondal linea

M = L

Vs
VsVs y
 he Parice in 1-D
Le usnd he
eigannchiono
= ASin (
Inormalised
The value of A is to be ound out under normalizaton Cociton
=L
yd - 1, y is a teaunction. : Y *

M=L
ASin Tm. ASin RLd 1

=L
A Sin Ro dw O
A 2 (M:L
C-Cos 2)d =
M=L

Cos CosaX da 1

An- = 1

A [-0] 1 Sin TA =O
Pur Gmit
L 1
or A

PoHing 4he Value A in equalion

Ynormaliced V7 Sin
 Quantum No:-
Quanlum number used to solve schro dinger wove Cconcept o
alomic model i.. ehapa , 6ige.ovienBation spin ohe
AN. is 4 ypes.

Princdpol quandum MoCn)-

leve. 9t can
Si is sepresenled a 'n'. 'n gives
the no.o enengy
no. .e n=4,2,
have any +ve uhole
- -

n Onjormation grven bjLPTiNple quaniom No.

sepresents ihe ehells which are K,LM ond N
The VaJue of n

or n= 1 .K shell
h2 Lshell ehc.

This principa quandum no. helps to deermine Ahe distance e

Hhe erom the nucdeus.
n?h2 C= H-atom)
nUR2em Z
'n'also dekermines the energy of he e in an ovbit.
uy
En-2ime"za

n2h2
'nvaue used o calcuwate -the mox no. o e- t saeutd i
cal culated by us ng Kor mula an2 te n2
K shell n 1 M shel D: 3 18

L shetl n 2 N she 32
 PhysicalStigoicance
Psincipal quanBum no. describes the enegy and posilio ot an e.

Azimulbal os Angulor Quaniom no.(U

A is vopresenled a ' . The 't value depends uponihe valye oh'n
'' t krom Olo (n-1
for a given value of can vary
Ine magnetic oangular momentum o ane 16
Anqular
Anqular
-
momelum t 1)]2
tuhm 0, 1, 2 Cn-1)
he vadue of U pr a given vals Of 'n' deemínt ihe n0. oubsh

Shell 8ubshel
D alue vadue
1 K
L
3 M 3
O,2
,12,3-
N

subshetl which are

Dieent value of U Aupse sends dient
leter & 6.p. d5
|de signaded by small
designadion ohsubshel
Volue o

its U value.
he shape o subshell issdaed Ho
t vadue Subshell Shape
spherical
1 dumbbel
2 double dumbleell.
3 Complex,
v a d u e codcuae the Hoial no. o e in a given subshell witn a v

value is equal o 2(2+1).

valu Subshell 2(2t1)
S 2
6
2 d 10

3 14
 Physical Signiltcance -
the shape o doud and energy
| Azmuiha quanlum ne. deecribes
levels Consists o80bshells.
Magnehic quantum no - (M)
in a eub-
Onder the inluence of an externa magndic e eld e
oríehtation .The oriendation are
ehell adusB 4hemselves in d jexunt
called &rbitals. Thus each eub-6hdl is Composed oh osbitals.
desent value of m.
Each orbitale is designabe d by a

rom values E6 -
Each 6ubshedl (m) can ddke any iniegral vaJue "of m - alt1.
lo +Uand max.
1hrough 0 to +t -LLo o
When, l- O 8 subshell M-0
M-1,O, t1.
-1 p- subshedl
t-2 d- 6ubshll M- -2-1,0,t1,t2
3 -8ubshe Il m-3,-2,1,0.t1t2.t3.

Physica Signicance ik ha
S4 descsibes the orientation o the e doud in epace givas
8ubshells consists o orbitals
Spin quandum no.Cs)
Es a vadue o % that describes he angular
Spin qvanlum no.
momeHtum o an e
around an oxis and ha both angular memenHum &
An e- spin
orbita dngular momentom because anguar 'momenBum s a
vectos So the spin quantum no has kolh the maqnitude
ond dieckion (t or -).This Vector is Known as magneic spin
quantum no. ( Ms)
Each orbitads can only hold two e's one ewil hove a +% 8pin
h e ather will hova epin.

The SA e in an orbital uill have a spin oh +h. A\ter all - obirad

ore halK l ed The e's elaris Ho pair-up.
Te ce cond e in the ovbitoal uw hove a spin of (%) t} here two
o- in the some or bital tt i l
epin in
opposite direchion
 Seledion Rute
Iransidionruleor maly conslraine he possible
Selechion ule or
state Ho anothes
tran silions of a eystem om one quontu
Hronsitions in
Selection kules have been destvedor elecromagnetic
nudu so on.
mole cules, in adoms, in adomic
mechanice the basis or a specroscopic eelecion rule
8n quanBum
he value othe lransition morHeni inlegra.
JVAp de
whe
ncHon o wo Btades.
*o p ore wave

dransilioo mo men operator.