CHNG 1

CU TO NGUYN T
Atomic Structure

CU TO NGUYN T
HT NHN

V IN T

KHI LNG V IN TCH CC HT

Khi lng
Tn

K
hiu

in t
Proton
Neutron

e
p
n

(kg)

vklnt

(C)

9,11.10-31 5,49.10-4 -1,60.10-19

1,67.10-27 1,01
+1,60.10-19
1,67.10-27 1,01
0

Hydro nh khng c n tron

1
1

in tch
Tng
oi /v
e
-1
+1
0

NHAN XET
S electron bng s proton.
Khi lng nguyn t tp trung ht nhn .
R(nguyn t) 105 R(nhn).

Z v A l hai c trng c bn ca
nguyn t
Z - in tch ht nhn = s proton
Bc nguyn t Z
A s khi lng nguyn t
A = s proton+ s neutron

NG DNG
Hon thnh s liu trong bng di y
Nguyn t

Ca

40

20

20

127

Tl

204

53
81

74
123

N/Z
1
1,40
1,52

NGUYEN TO HOA
HOC
c to thnh t cc nguyn t c cng
Z.
K hiu
A
X nguyn t ha hc
Z
A- s khi
Z in tch ht nhn

NG V
C cng s proton (cng 1 ng t ha hc)
Khc s khi hay s n tron .
V d - Cc ng v ca Hydro (Z = 1)
Hydro hay Hydro nh ( 99,98%)
2
teri ( 0,016 % )
1H
3
Triti ( 0,001%)
1

1
1

NG DNG
Tnh nguyn t khi trung bnh ca Argon
36

Ar (0,34%) ;

38

Ar (0,06%) ;

Ar (99,6%)

40

36.0,34 38.0,06 40.99,6

M
39,87
100

Mol (h SI)
1 mol cht cha 6,022.1023 tiu phn cu
trc ca cht (nguyn t, phn t, ion,
electron.).
V d
2 mol ion H+ cha: 2 . 6,022.1023 ion H+
4 mol electron cha: 4. 6,022.1023 electron.
10

PH BC X IN T

= c
E = h =
hc/
11

QUANG PH LIN TC

12

QUANG PH NGUYN T - QUANG PH VCH

H H

Hydro
He
Ne
13

THUYT CU TO NGUYN T
Thuyt cu to nguyn t
ca Thomson.(1898)
Mu hnh tinh Rutherford. (1911)
Mu nguyn t theo Bohr. (1913)
14

J. J. Thomson Atomic Model

M HNH NGUYN T
Nguyn t l mt qu cu bao gm cc
phn t tch in dng v cc in t
phn tn ng u trong ton khi cu.

15

Rutherfords Model
(1911)

16

NHN XT
U IM
Chng minh c s tn ti ca ht nhn
nguyn t chim phn ln khi lng nguyn t
NHC IM
- Khng gii thch c tnh bn ca nguyn t
-Khng gii thch c quang ph ca nguyn t
l quang ph vch

17

The Bohr Model

MU NGUYN T THEO BOHR

(1913)

18

BA TIN CA
BOHR
mvr = nh/2
Khi quay trn qu o bn electron
khng bc x (khng mt nng lng).
Nng lng ch c pht ra hay hp
th khi electron chuyn t qu o bn
ny sang qu o bn khc.
E = | Et - E c | = h
19

U IM CA THUYT BORH
p dng ng cho h nguyn t c 1electron
Tnh bn knh qu o,nng lng, tc ca
electron trn qu o bn.
Xc minh tnh lng t ha nng lng ca
electron
En = 13,6Z2 /n2 [eV]
c
2 2 me 4 2 1
1
E h h
Z 2 2
2

h
nc
nt
Gii thch c
quang ph vch
ca ng t .
20

Cc mc nng lng v quang ph vch

cu nguyn t Hydro
1
1
E h 13.6 eV 2 2
nt nc

Lyman E h 13.6 eV 1 1
2
2

Balmer

Paschen

nc

1
1
E h 13.6 eV 2 2
2 nc

1 1
E h 13.6 eV 2 2
3 nc
21

Quang ph pht x cu nguyn t Hydro

nt = 1 dy Lyman min t ngoi.
nt = 2 dy Balmer - min kh kin
dy ph quan trng ca Hydro.
nt = 3 dy Paschen min hng ngoi.
nt = 4 dy Brackett - min hng ngoi xa.
nt = 5 dy Pfund - min hng ngoi xa.

22

GII THCH THNH CNG

PHNG TRNH Rydberg

c
2 2 me 4 2 1
1
E h h
Z 2 2
2

h
nc
nt

= 1/ = RH (1/nt2 -1/nc2 )
n

- s nguyn dng n = 1, 2, 3, 4..

nt < nc

- s sng (cm-1 )
RH - hng s Rydberg RH = 109678 cm-1
23

1/ = 1,097.107 m-1 (1/ 22 -1/nc2 );

nc = 3,4,5,6
K Hiu

nt

nc

()

6563,1

4861,3

4340,5

4101,7

mu

xanh
lam

chm

tm
24

NHC IM CA THUYT BORH

Khng gii thch c bi ca quang ph.
Tnh ton li s dng l c hc c in.
Xem electron chuyn ng trn mt phng.
Khng xc nh c v tr ca electron khi di
chuyn t qu o ny sang qu o khc.
Khng gii thch c s lng t ha nng
lng.
p dng cho ng t phc tp ch cho kt qu nh
tnh.
25

CU TRC LP V ELECTRON
THEO C HC LNG T
Ba lun im c bn ca c hc lng t.
Trng thi ca electron trong nguyn t Hydro.
Trng thi ca electron trong nguyn t ph tp.
Cu hnh electron ca nguyn t.
26

BA LUN IM C BN
Lun im 1
Tnh lng nguyn (ht v sng) ca cc ht vi m.
H thc L. de Broglie (1924):

h - hng s Plank = 6,625.10-27 [erg.s]

m khi lng ca ht vi m
v tc ca ht vi m
- bc sng

mv

27

Nhiu x electron ca Davisson v Germer

28

Lun im 2

NGUYN L BT NH HEISENBERG

Khng th xc nh ng
thi chnh xc c v tr
v tc ca ht vi m.
x.v

m 2m

h
x.v x
m 2m
29

Lun im 3
Phng trnh sng Schrdinger
2 2 2 8 2 m
E V 0

2
2
2
2
x
y
z
h
m t chuyn ng ca ht vi m trong trng
th nng trng thi dng (trng thi ca h
khng thay i theo thi gian).

30

 E = th nng (V) + ng nng

E (x,y,z) nng lng ton phn ca ht vi m
V(x,y,z) th nng ca ht vi m ti (x,y,z).
(x,y,z ) hm sng m t trng thi ca ht vi m
m t chuyn ng trong khng gian
2 (x,y,z) mt xc sut c mt ca ht vi m
ti im c ta (x, y, z) , c du dng .
2(x,y,z).dV xc sut c mt ca ht vi m trong
phn t th tch dV vi tm im c ta x,y,z
v dV= dx.dy.dz

31

IU KIN CHUN HA CA HM SNG.

2 ( x, y , z ).dV

all space

n tr , lin tc v hu hn
v E l nghim ca phng trnh
Phng trnh sng Schrdinger ch gii c
chnh xc cho trng hp nguyn t Hydro v ion
c mt electron . i vi cc nguyn t nhiu in
t phi gii gn ng.
32

TRNG THI ELECTRON TRONG NGUYN T H

2 2 2 8 2 m
2 2 2 E V 0
2
x
y
z
h
- hm orbital nguyn t
( r,,) =R(r).().() = R(r).Y(, )
R( r)
hm bn knh
Y(,)
hm gc
0 2 ;
0
x2 + y2 +z2 = r2
V = -e2/ 40r

x = r.sin.cos
y = r.sin.sin
z = r.cos

33

KT QU

n ,,m (r, , ) R n , (r ).Y,m (, )

En = -13,6/n2
[eV ]
En = -13,6Z2/n2 [eV]

(ng t Hydro )
(ion dng Hydro)

n = 1, 2, ...; =0,1, 2,..(n-1);

m = - ,,0,.,+

Orbital nguyn t c xc nh bi tp
hp ba s lng t.
34

Khi nim m my electron.

m my electron l vng khng gian quanh ht
nhn trong xc sut c mt ca electron ln
hn 90% .(ORBITAL NGUYN T)

35

 ngha s lng t chnh n

n = 1, 2, 3, ,

Xac nh trng thi nng lng ca electron

Xac nh kch thc trung bnh ca m
my electron
2
2
me 4
Z
Z
2
18
E 2 2 2 Z 2,18.10
J 13.6 2 eV
2
8 0 n h
n
n

a0 n 2
1
l l 1
r
1
1

Z
2
n

36

Cc electron c cng gi tr n s thuc

mt lp lng t (lp electron)
n

Lp e

37

 ngha s lng t orbital

= 0, 1,..(n 1) mi gi tr ca n c n gi tr
Cc electron c cng gi tr n v to thnh
mt phn lp electron (phn lp lng t)

Phn lp electron

K hiu phn lp: 1s, 2s, 2p, 3s, 3p, 3d

38

Xc nh tn v hnh dng ca AO
= 0 orbital S , Y(, ) = 1/2 hnh qu cu.
= 1 orbital p , dng hai qu cu tip xc nhau
= 2 orbital d , dng bn qu cu
=3 orbital f

39

 ngha s lng t t m
m = - , 0,.+
C mi gi tr ca c (2 + 1) gi tr ca m .
Xc nh s nh hng khc nhau ca AO

trong khng gian di tc dng ca t

trng ngoi.

40

 = 0 m= 0 1 Orbital S

41

 = 1 m= 0, 1 3 orbital p

m = 1

m= 0
42

 = 2 m= 1, 2, 0 5 orbital d

m
=1

m =

m=0

43

 = 3 m= 1, 2, 3, 0 7 orbital f

44

 ngha s lng t t spin ms

Xc

nh trng thi chuyn ng ring ca

electron, tc l s t quay quanh trc ca

electron.
Gi tr ms= ng vi hai chiu quay
thun v nghch vi chiu quay ca kim ng
h.
45

ms

Lp e
Phn lp e
AO

46

NHN XT
B ba s lng t (n, ,m) xc nh hm
orbital nguyn t AO
n, , m = hm orbital
Tp hp b bn s lng t (n,, m , ms )
mi xc nh y trng thi ca electron
trong nguyn t (chuyn ng spin v
chuyn ng orbital)
n, , m, ms = hm sng ton phn
= hm orbital-spin
47

Trng thi nng lng ca electron trong

nguyn t nhiu electron.
Trng thi ca electron cng c xc nh bng 4
s lng t n, , ml, ms .
Hnh dng AO cng tng t nh hnh dng ca
nguyn t Hydro.
Xut hin hiu ng chn v hiu ng xm nhp.
Trng thi nng lng ca electron ph thuc vo
c n v .

48

Z
Z = Z - S

49

Hiu ng chn
Cc electron c s lng t n v
cng nh c tc dng chn cng
mnh v b chn cng yu. Ngc li
cc electron c s lng t n v
cng ln c tc dng chn cng yu
v b chn cng mnh.

50

Cc electron lp bn trong c tc dng chn

mnh cc lp bn ngoi. Cc electron c s
lng t ging nhau th nu n cng tng s
c tc dng chn cng yu, nhng b chn
cng nhiu. Tc dng chn ca lp ngoi vi
lp trong khng ng k.
Cc electron c n ging nhau th electron no
c cng ln tc dng chn s cng yu v b
chn cng nhiu.

51

 Trong cng mt lp chn nhau khng mnh so

vi khi khc lp.
Trong cng mt phn lp, cc electron chn
nhau cng yu hn.
Theo chiu ns, np , nd, nf tc dng chn yu
dn, nhng b chn tng ln. V vy khi tng
in tch ht nhn (Z), th in tch ht nhn
hiu dng tng mnh i vi electron s, v tng
yu hn ln lt i vi electron p, d, f.

52

 Mt phn lp bo ha han tan

electron hay bn bo ha th c tc
dng chn rt mnh i vi lp bn
ngai.
Hai electron thuc cng mt lng
t chn nhau rt yu nhng li y
nhau mnh

53

HIU NG XM NHP
Hiu ng xm nhp lm tng bn lin
kt gia electron vi ht nhn nn lm
gim nng lng ca electron.
Hiu ng xm nhp cng mnh khi cc
s lng t n v ca electron cng
nh.
54

CC QUY LUT PHN B ELECTRON

VO NGUYN T NHIU ELECTRON
Nguyn l vng bn
Quy tc Klechcowski
Nguyn l ngoi tr Pauli
Quy tc Hund

55

Nguyn l vng bn
Trong nguyn t in t c phn
b vo cc orbital nguyn t sao cho
tng nng lng ca nguyn t l
thp nht.

56

Quy tc Klechcowski
in e vo cc phn lp c (n + ) tng dn.
Khi (n + ) bng nhau th in e vo phn mc c n
tng dn.

1s 2s 2p 3s 3p 4s 3d 4p 5s 4d 5p 6s 4f 5d 6p 7s 5f 6d
1 2 3 3 4 4 5 5 5 6 6 6 7 7 7 7 8 8

57

58

Quy tc Klechcowski
Quy tc Klechcowski l mt quy tc gn
ng mang tnh khi qut nghim ng
trong nhiu trng hp, nhng cng c
nhng trng hp quy tc ny khng
nghim ng.

59

Nguyn l ngoi tr Pauli

Trong phm vi mt nguyn t khng

th c hai electron m trng thi ca

chng c c trng bi cng 4 s
lng t.
Mt AO Ch c th cha ti a 2 electron
c spin ngc du.
ms= +1/2

ms= - 1/2
60

Trong mt phn lp (n, ) ta c:

(2 + 1) s orbital

S in t ti a = 2(2 + 1).
phn lp s
phn lp p
phn lp d
phn lp f

- c ti a 2 in t
- c ti a 6 in t
- c ti a 10 in t
- c ti a 14 in t
61

 Trong mt lp lng t n, ta c:
n phn lp (0,1,2,(n-1))
s orbital trong mt lp l n2
s electron ti a trong mt lp l 2n2.
Lp :
K, L, M, N, O, P, Q
S electron: 2, 8, 18, 32, 50, 72, 98
ti a
62

QUY TC HUND
Trong mt phn lp vi cng nhiu AO
c mc nng lng nh nhau, cc
electron c khuynh hng phn b u
vo cc lng t sao cho tng spin ca
chng l cc i (tng s electron c
thn l ti a)

63