LIN KT HA HC LINKTHAHC

V sao nghin cu Lin kt ha hc V sao nghin cu Lin kt ha hc

Vt cht to thnh do cc nguyn t lin kt Vt cht to thnh docc nguyn t lin kt
vi nhau.
Hiu c bn cht lin kt s gip Hiu c bn cht lin kt s gip
hiu c tnh cht ca cc cht

V sao cac nguyen t lai lien ket vi nhau?
e at ti trang thai ben vng cua he thong.

Cc thng s c trng cho lin kt Cc thng s c trng cho lin kt
Nng lng lin kt Nng lng lin kt
di lin kt
G li k Gc lin kt
c xc nh bng thc nghim.
C th dng kim chng cc l thuyt C th dng kim chng cc l thuyt
v lin kt

Nng lng lin kt Nng lng lin kt
Nng lng lin kt (kcal mol
1
kJ mol
1
) Nng lng lin kt (kcal.mol , kJ.mol )
l nng lng cn thit ct t lin kt
thnh cc nguyn t c lp Nng lng thnh cc nguyn t c lp. Nng lng
lin kt cng ln th lin kt cng bn.

di lin kt di lin kt
di li kt d (~10
10
1A) l kh di lin kt d(~10
10
m=1A)l khong
cch cn bng gia 2ht nhn ca 2nguyn
t li kt i h t lin kt vi nhau.

Gc lin kt Gc lin kt
Khi mt nguyn t ng thi lin kt vi Khi mt nguyn t ng thi lin kt vi
nhiu nguyn t khc, gc lin kt l gc
to thnh bi hai lin kt to thnh bi hai lin kt.
Bit c gi tr gc lin kt ta s xc nh
c hnh dng ca phn t c hnh dng ca phn t.

Cc nguyn t lin kt vi nhau nh th
? no?
Do khng th quan st trc tip cc lin kt ha hc,
d h h li k d ta da vo tnh cht ca cc lin kt xy dng cc
m hnh (l thuyt) biu din lin kt gia cc
nguyn t.
Cc l thuyt c s dng nhiu nht l:
Thuyt Bt t ca Lewis (phi lng t) Thuyt Bt t ca Lewis (phi lng t)
Thuyt tng tc cc cp electron (Valence Shell
Electron Pair Repulsion) (phi lng t)
Thuyt Lin kt Ha Tr (Valence Bond) Thuyt Lin kt Ha Tr.(ValenceBond)
Thuyt Vn o Phn t (MolecularOrbital,Frontier
MolecularOrbital)

Lch s pht trin cc l thuyt Lch s pht trin cc l thuyt
http://www.meta-synthesis.com/webbook/30_timeline/timeline.html

Phn loi lin kt ha hc Phn loi lin kt ha hc
Ty theo bn cht, lin kt ha hc c Ty theo bn cht, lin kt ha hc c
phn thnh 3 loi chnh
Lin kt ion
Lin kt cng ha tr
Lin kt kim loi.
Bn cht v tnh cht ca mi loi lin kt Bn cht v tnh cht ca mi loi lin kt
trn c gii thch bng cc thuyt v
lin kt ha hc thch hp.

Lin kt ion Lin kt ion
Lin kt ion c coi l h qu ca s to Lin kt ion c coi l h qu ca s to
thnh cc ion m v dng thng qua vic
cho nhn electron gia cc nguyn t cho nhn electron gia cc nguyn t.
ii th h kh tt l th t c gii thch kh tt qua l thuyt n
gin ca Lewis & Kossel.

Lin kt Cng Ha Tr Lin kt Cng Ha Tr
Thng c gii thch thng qua thuyt Thng c gii thch thng qua thuyt
lin kt ha tr (VB) hoc thuyt vn o
phn t (MO) phn t (MO).
S d h l t i t S dng chung electrongia cc nguyn t.
S xen ph cc orbital

Lin Kt Kim Loi Lin Kt KimLoi
Lin kt kim loi khng th gii thch thu Lin kt kim loi khng th gii thch thu
o bng thuyt Lewis cng nh thuyt
Lin kt ha tr do thng c gii Lin kt ha tr do thng c gii
thch bng thuyt min nng lng,
thc cht l thuyt vn o phn t p thc cht l thuyt vn o phn t p
dng cho h c khong 10
23
nguyn t.

Cc l thuyt v
Lin Kt Ha Hc

Thuyt Lewis
Lin kt ha hc hnh thnh do cc
nguyn t trao i hoc s dng g y g
chung cc electron ha tr
(Electron ha tr l cc electron nm
trong cc lp v ngoi cng cha trong cc lp v ngoi cng cha
bo ha ca cc nguyn t.)
Lewis
(1875-1946)
Lut Bt t
Cc nguyn t c xu hng cho,
nhn, hay s dng chung electron
t ti cu hnh lp v ngoi
cng bn vng c 8 electron cng bn vng c 8 electron

K hiu Lewis
M t cc electronha tr ca cc nguyn t.
Hydro:
H

Natri:
Na

Clor:
Cl

S hnh thnh lin kt
S hnh thnh NaCl:
Na

Na
+
[ ] Cl

Cl

S hnh thnh HCl :

H

+
Cl

Cl

H
Kim loi nhng electron cho phi kim to lin kt ion.
Hai phi kim dng chung electron to lin kt Cng Ha Tr.

Hp cht ion
Trong cc hp cht ion, cc ion dng v m sp xp thnh
mt mng li tinh th vng chc. (v d : NaCl)

Lin kt ion
Lin kt ion hnh thnh do s tng tc tnh
i i i t i d in gia cc ion tri du.
in tch ca hai
ion l Q
1
v Q
2
:

Q
1
Q
2
d
Nng lng tng tc :
d
Q Q
E
2 1

Nng lng tng tc :

d
E
2 1

Bn Knh Ion

Nng lng mng tinh th Nng lng mng tinh th
L i lng th hin bn ca lin kt ion.
h h l th i l c nh ngha l s thay i nng lng ca
qu trnh tch 1 mol hp cht ion ra thnh cc ion
ring l : ring l :
NaCl(s) Na
+
(g)+Cl

(g)H=788kJ
Nng lng mng t l thun vi in tch ion v t
l nghch vi kch thc ion.
KCl(s) K
+
(g)+Cl

(g)H=701kJ
M Cl ( ) M
+2
( ) 2 Cl ( ) H 3795 kJ MgCl
2
(s) Mg
+2
(g)+2Cl

(g)H=3795kJ

Chu trnh BornHaber ChutrnhBorn Haber
Nng lng mng tinh th c th c tnh
da theo nh lut Hess theo cc bc sau. da theo nh lut Hess theo cc bc sau.
Na
+
(k) + e
-
+ Cl(k)
I
1
(Na)
E(Cl)
H
Na
+
(k) + Cl
-
(k)
H
f
(Cl,k)
Nang lng
Na(k) + Cl(k)
Na(k) + Cl
2
(k)
H
f
(Na,k)
f
( , )
Nang lng
mang
Na(r) + Cl
2
(k)
Na(k) + Cl
2
(k)
H
f
(NaCl,r)
NaCl(r)


Nng lng mng
Sp xp cc cht sau theo th t nng
lng mng tng dn :
KCl
701 kJ
d
Q Q
E
2 1

NaF
910 kJ

K
+
Cl

MgO
3795 kJ
d
KBr
NaCl
788 kJ
671 kJ

K
+
Br

NaCl
788 kJ
d

Nng lng mng ca mt s hp cht ion


Lin kt Cng Ha Tr
Trong lin kt ion, mt nguyn t nhng hn
electron (to ion dng) mt nguyn t nhn hn electron (to ion dng) mt nguyn t nhn hn
electron (to ion m).
Khi hai nguyn t tng t nhau hnh thnh lin kt,
khng nguyn t no nhng hay nhn hn electron.
Chng dng chung cp electron t cu hnh bn
8 electron.
Mi cp electron dng chung to thnh mt lin kt.

Cng thc Lewis
M t lin kt trong cc hp cht cng ha tr.
Mi nguyn t phi c 8electronlp v ngoi
cng (tr Hc 2electron).
H

H +

H
2
: hay H H

H H
Cl Cl

Cl
2
: Cl

Cl

+

Electron
lin kt
Cl Cl

Electron khng lin kt

Cng thc Lewis
HF:
H F

hay H F

H
2
O:
H O H

hay H O H



NH
3
: H N H
H

hay H N H
H

CH
H H
H C H
H

h H C H
H
CH
4
: H C H
H

hay H C H
H

Lin kt n, lin kt ba

O
2
:
= O O



N :

N N

N
2
:

N N

S cp electron dng chung c gi l Bc lin kt

V Cng thc Lewis
Tnh tng s electron ha tr ca cc nguyn t.
Ion in tch n- : cng thm n electron ha tr g
Ion in tch n+ : tr i n electron ha tr
Phn b cc nguyn t quanh nguyn t trung tm. (NTTT l
t i h h t H) nguyn t c m in nh hn, tr H)
V cc lin kt n t nguyn t trung tm n cc nguyn t
khc. khc.
Hon thnh bt t cho cc nguyn t ngoi
t cc electron ha tr cn d vo nguyn t trung tm
Nu nguyn t trung tm cha bat t (8 electron) , to
lin kt bi gia nguyn t trung tm vi cc nguyn t
ngoi ngoi.

V du V du
COCl
2
24 e
Cl C Cl
O

COCl
2
24 e
HOCl
14 e
Cl C Cl

H O Cl

HOCl
14 e
H O Cl

ClO
3

26 e O Cl O
O

CH OH 14 e H C O H
H

CH
3
OH 14 e H C O H
H


Dng cng hng
Cng thc Lewis ca O
3
c hai dng tng
h ng nhau:
O O O

O O O

= =
Thc nghim cho thy hai lin kt O-O l tng
ng nhau (cng c di ni l 0.128 nm
Khi biu din cu to phn t O
3
ta phi vit ng p
3
p g
thi 2 cng thc

V du
NO
3

24 e

O N O

O N O

O N O

=
C
2
H
6
O 20 e
H
H
H
H
H C C O H
H
H
H
H
H C O C H
H
H
H
H

Ethyl alcohol
Methyl ether
H H H H

V du
C
6
H
6
30 e
H H
C C
C
H
H
C C
C
H
H

C C
C
H
H
C C
C
H
H
H
H H

Cc dng khng tng ng
N
2
O c 3 dng khng tng ng :
2
g g g g
N N O

N N O
= =






N N O

N N O

xc nh dng m t chnh xc nht cu trc N

2
O
ta cn xc nh in tch trn mi nguyn t

in tch trn nguyn t in tch trn nguyn t
in tch =s electronha tr ca nguyn t
s electron khng lin kt s electronkhng lin kt
s electronlin kt
N
2
O:
N N O

N N O
= =




N N O

-2 +1 +1 -1 +1 0 0 +1 -1
2




Dng thch hp
C cc in tch nh nht.
Khng c in tch cng du trn hai
nguyn t k cn nguyn t k cn
in tch m nm trn nguyn t c m
in cao hn in cao hn.
N
2
O:
N N O

N N O
= =




N N O

-2 +1 +1 -1 +1 0 0 +1 -1



Thch hp

Ngoi l cu thuyt Bt t Ngoi l cu thuyt Bt t
Trong nhiu trng hp, thuyt Bt t ca Trong nhiu trng hp, thuyt Bt t ca
Lewis khng c tun theo:
Cc phn t c s l electron ha tr. Cc phn t c s l electronha tr.
Nguyn t trung tm c t hn 8electron.
Nguyn t trung tm c nhiu hn 8 electron ha Nguyn t trung tm c nhiu hn 8 electron ha
tr.

S l electron ha tr S l electronha tr
N O

N O


=
Lin kt trong NO phi c gii thch da
th t V Ph T vo thuyt Vn o Phn T

t hn 8 electron
BeF
2
0 0 0 +1 2 +1
F Be F

0 0 0
F Be F




=
=
+1 -2 +1
Thch hp

t hn 8 electron
BF
3
:

F B F

=
+1 0 -1

F B F
F

F B F

F B F



0
0 0

F

F B F



=
Thch hp
F

Nhiu hn 8 electron Nhiu hn 8 electron
PF
5
SO
4
2
5 4
F

+2
0
O

-2
O

-2
P
F
F

O S O
O

O S O
O

F F

V Cng thc Lewis
Tnh tng s electron ha tr ca cc nguyn t.
Ion in tch n- : cng thm n electron ha tr g
Ion in tch n+ : tr i n electron ha tr
Phn b cc nguyn t quanh nguyn t trung tm.
(NTTT l t i h h t H) (NTTT l nguyn t c m in nh hn, tr H)
V cc lin kt n t nguyn t trung tm n cc
nguyn t khc nguyn t khc.
Hon thnh bt t cho cc nguyn t ngoi
t cc electron ha tr cn d vo nguyn t trung tm t cc electron ha tr cn d vo nguyn t trung tm
Nu nguyn t trung tm cha s electron ha tr, to
lin kt bi gia nguyn t trung tm vi cc nguyn t
ngoi.

Bi tp p dng Bi tp p dng
V cng thc lewis cho cc phn t v ion sau : V cng thc lewis cho cc phn t v ionsau :
CO
3
2
,PO
4
3
S S SF
4
,SF
6
ClO
4

,POCl
3
XeO
4
,XeO
3
,XeOF
4

Lin kt Cng Ha Tr c cc
Khi cp electron c phn b u gia hai
nguyn t : lin kt khng phn cc nguyn t : lin kt khng phn cc
HH
2
,
Cl
2
:
Khi c s phn b khng ng u: lin kt
cng ha tr c cc cng ha tr c cc
HCl:

m in m in
phn cc ca lin kt
c xc nh da vo s
khc bit M IN gia
hai nguyn t to lin kt.
Thang m in thng
dng do Pauling ngh
190194
Nobel Hoa hoc : 1954
dng do Pauling ngh.
Nobel Hoa Bnh : 1962

Thang m in Pauling Thang m in Pauling

phn cc (%ion)ca lin kt
% ion = (gi tr o bng thc nghim ca moment lng cc X-Y)/ (gi tr tnh ton moment lng cc X
+
Y
+
)
% ion ca lin kt c Pauling xc nh thng qua chnh lch m in ca hai nguyn t :
o chenh
lech o am
% ion cua
lien ket
o chenh
lech o am
% ion cua
lien ket
o chenh
lech o am
% ion cua
lien ket
ien

ien

ien
0.2 1 1.4 39 2.4 76
0.4 4 1.6 47 2.6 82
0.6 9 1.8 55 2.8 86
0.8 15 2.0 63 3.0 89
1 0 22 2 2 70 3 2 92 1.0 22 2.2 70 3.2 92
1.2 30


3.0
2 0
EN
2.0
0.0
Li
+
F
-
Li
F

Nng lng lin kt CHT
bn ca lin kt cng ha tr c o bng nng
lng cn thit ph v lin kt lng cn thit ph v lin kt.
Nng lng lin kt, D(X-Y) l lng nhit H cn
ph v 1 mol lin kt X-Y th kh ph v 1 mol lin kt X-Y th kh.
D(C-O) = H
= 358 kJ

C O


C + O

= 358 kJ
Khi 1 mol lin kt X-Y c hnh thnh nng lng

Khi 1 mol lin kt X-Y c hnh thnh, nng lng
to ra l D(X-Y).

Nng lng lin kt cng ha tr Nng lng lin kt cng ha tr

Lin h gia nng lng lin kt, di lin kt v
bc lin kt bc lin kt
Bc lin kt tng di lin kt gim nng
lng lin kt tng lng lin kt tng
D(CC)=348kJ 0.154nm
D(C=C)=614kJ 0.134nm
D(C C) 839 kJ 0 120 D(CC)=839kJ 0.120nm
D(C O) = 358 kJ 0 143 nm D(CO)=358kJ 0.143nm
D(C=O)=799kJ 0.123nm
D(CO)=1072kJ0.113nm

di lin kt

S dng nng lng lin kt tnh nhit phn ng
H
p
= D(noi t) D(noi tao).

Nhit phn ng (H
P
)
PhnnggiaH
2
vO
2
toH
2
O:
H H + H H + O O
=


H O H + H O H

H t noi
= 2 D(H H) + D(O=O)
H O H + H O H

H t noi
= 2 D(HH) + D(O=O)
H tao noi = 4-D(OH)
H
rxn
= 2 D(HH) + D(O=O) - 4 D(OH)
H = D(noi t) - D(noi tao)

Nhit phn ng (H
P
)
Tnh nhit phn ng t chy 1 mol CH
4
:
H
+
H C H
H
2 O O
=

+
H


O C O = =




2 H O H


H = 4 D(CH) + 2 D(O=O)
2 D(C=O) 4 D(O H) - 2 D(C=O) - 4 D(OH)
= [ 4(413) + 2(495) - 2(799) - 4(463) ] kJ
= -808 kJ

Bi tp p dng
Vit cng thc Lewis ca CO
3
2-
2
O O O
CO
3
2-
C
O O
C
O O
C
O O
C
O
2/3
2/3
C
O O
2/3
2/3

Bi tp p dng
Xc nh bc lin kt ca cc lin kt gia nguyn t
N v nguyn t O trong ion NO
-
N v nguyn t O trong ion NO
2
NO
-
O N O O N O
NO
2
O N O O N O
1/2- 1/2-
O N O
=
1/2 1/2
b.o. = 1.5 124 pm p
bac.
So sanh: N-O 136 1.0
N=O 115 2.0

Bi tp p dng
Tnh H
p
cho phn ng sau
H
C C
H
H O O H H O C
H
C
H
O H +
H H
H H
H

= D(noi t) - D(noi tao) H

p
D(noi t) D(noi tao)
H
P
= [D(C=C) + D(O-O)] - [D(C-C) + 2D(C-O)]
= [602 + 146] - [346 + 2(358)]
= -314 kJ