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![Page 1: Tom](https://reader033.fdocuments.ec/reader033/viewer/2022052413/559e4bbc1a28ab874a8b45ee/html5/thumbnails/1.jpg)
COMPUESTOS DE COORDINACIONCOMPUESTOS DE COORDINACION
Teoría de Orbital Molecular
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Orbitales híbridosEjemplos
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sp3d
Bipirámidetriangular
Octaédrica
sp3d2
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Octaédricasp3d2
Bipiramidaltriangularsp3d
Tetraédricasp3
Triangularsp2
Linealsp
GeometríaHibridación
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sp3d2Octaedro
sp3d, spd3
sp2d2, sd4, pd4, p3d2
p2d3
Bipirámide trigonalPirámide tetragonalPlana pentagonal
sp3, sd3
p2d2, sp2dTetraedro
Plana cuadrada
sp2, p2dPd2
Plana triangularPirámide trigonal
sp, pd, sdsd
Linealangular
Orbital híbridoDistribución
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Teoría de orbitales moleculares(TOM)
• La combinación de orbitales atómicos (OA) de átomosdiferentes forma orbitales moleculares
• Los OM se construyen mediante una combinaciónlineal de orbitales atómicos (Método CLOA)
• Todos los OA contribuyen al orbital molecular
• Los electrones en estos orbitales pertenecen a lamolécula como conjunto
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( ) ( )[ ]...ccN22OM
++=!átomoBátomoA
""
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Moléculas diatómicas homonucleares
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Nodo
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1s 1s
σ 1s
σ *1s
+
La molécula de H2 posee unorbital molecular σ1s enlazante yun orbital σ*1s antienlazante de
mayor energía.
![Page 12: Tom](https://reader033.fdocuments.ec/reader033/viewer/2022052413/559e4bbc1a28ab874a8b45ee/html5/thumbnails/12.jpg)
Orbitalatómico
Orbitalatómico
Átomo ÁtomoMolécula
Energía
Antienlazante
σ*1s
Enlazanteσ1s
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• Los electrones se colocan en un diagrama deorbitales moleculares comenzando por el orbitalde energía más baja (principio de Aufbau)
• Se colocan dos electrones en un orbital conespín opuesto (principio de exclusión de Pauli)
• Si hay más de un orbital disponible en un mismosubnivel, se coloca un electrón en cada orbitalantes de distribuir dos en el mismo (regla deHund)
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1s 1s
H H H2
Energía
Antienlazante
σ*1s
Enlazanteσ1s
Configuración electrónica: (σ1s)2
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H2
Configuración electrónica(σ1s)2
![Page 16: Tom](https://reader033.fdocuments.ec/reader033/viewer/2022052413/559e4bbc1a28ab874a8b45ee/html5/thumbnails/16.jpg)
Orden de enlace
Es el número de enlaces entre dos átomos en unamolécula.
OE = ½ (Nº de e-enlanzantes - Nº de e-antienlanzantes )
•Cuanto mayor es el orden de enlace de una molécula,mayor será su estabilidad
•A mayor estabilidad, menor reactividad química
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Orbitales moleculares σ2p y π2p
2pz 2pz
2py 2py π2py
2px2px
π*2py
π*2pz
π2pz
σ*2pxσ
2px
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LiLi22
Configuración electrónica(σ1s)2 (σ1s*)2 (σ2s)2
Orden de enlace: OE = (4-2)/2 = 1 Multiplicidad: 1 ⇒ singulete
Diamagnética
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Be2
Orden de enlace: OE = (4-4)/2 = 0Be2 No existe
Configuración electrónica(σ1s)2 (σ1s*)2 (σ2s)2 (σ2s*)2
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Ener
gía
2p 2p
σ*2s
σ2s2s 2s
π*2p
σ*2p
σ2p
π2p
Átomo de N Átomo de NMolécula de N2
N ≡ Noe = 3Diamag
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Ener
gía
σ*2s
σ2s2s 2s
Átomo de O Átomo de OMolécula de O2
σ*2p
π*2p
σ2p
π2p
2p 2p
O = Ooe = 2param
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Paramagnetismo del O2
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B2
Configuración electrónica(σ1s)2 (σ1s*)2 (σ2s)2 (σ2s*)2 (π2px)1 (π2py)1
B – Boe = 1param
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C2
Configuración electrónica(σ1s)2 (σ1s*)2 (σ2s)2 (σ2s*)2 (π2px)2 (π2py)2
C = Coe = 2diam
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B, C y N
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F2
Configuración electrónica(σ1s)2(σ1s*)2(σ2s)2(σ2s*)2(σ2p)2(π2px)2(π2py)2 (π2px*)2(π2py*)2
F – Foe = 1Diamag
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Ne2
Orden de enlace: OE = (10-10)/2 = 0Ne2 No existe
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General
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σ1s < σ1s∗ < σ2s < σ2s
∗ < σ2p < π2px = π2py < π2px∗ = π2py
∗ < σ2p∗
Excepto para B, C y N:
σ1s < σ1s∗ < σ2s < σ2s
∗ < π2px = π2py < σ2p < π2px∗ = π2py
∗ < σ2p∗
CONFIGURACION ELECTRONICACONFIGURACION ELECTRONICA
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Moléculas diatómicas heteronucleares
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Diagramas de correlación
100% Covalenteχ1 = χ2
Polar o Iónicoχ1 <χ2
M MX
![Page 37: Tom](https://reader033.fdocuments.ec/reader033/viewer/2022052413/559e4bbc1a28ab874a8b45ee/html5/thumbnails/37.jpg)
HF
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HCl
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σ*2s
σ2s
Ener
gía
2p
2s
Átomo de N
2p
2s
Átomo de O
σ*2p
π*2p
σ2p
π2p
Molécula de NO
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CO
6C: 1s2 2s2 2p2
8O: 1s2 2s2 2p4
(σ1s)2 (σ1s*)2 (σ2s)2 (σ2s*)2
(σ2p)2 (π2px)2 (π2py)2
Oe = 3
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NO
7N: 1s2 2s2 2p3
8O: 1s2 2s2 2p4
(σ1s)2 (σ1s*)2 (σ2s)2 (σ2s*)2 (σ2p)2 (π2px)2 (π2py)2 (π2px*)1
Orden de unión = 2.5
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NO
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NO+ y CN-
6C: 1s2 2s2 2p2
7N: 1s2 2s2 2p3
8O: 1s2 2s2 2p4
NO+ y CN-
son especiesisoelectrónicas al CO
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Moléculas poliatómicas
![Page 45: Tom](https://reader033.fdocuments.ec/reader033/viewer/2022052413/559e4bbc1a28ab874a8b45ee/html5/thumbnails/45.jpg)
BeH2
![Page 46: Tom](https://reader033.fdocuments.ec/reader033/viewer/2022052413/559e4bbc1a28ab874a8b45ee/html5/thumbnails/46.jpg)
H2O
![Page 47: Tom](https://reader033.fdocuments.ec/reader033/viewer/2022052413/559e4bbc1a28ab874a8b45ee/html5/thumbnails/47.jpg)
CO2
![Page 48: Tom](https://reader033.fdocuments.ec/reader033/viewer/2022052413/559e4bbc1a28ab874a8b45ee/html5/thumbnails/48.jpg)
CH4
![Page 49: Tom](https://reader033.fdocuments.ec/reader033/viewer/2022052413/559e4bbc1a28ab874a8b45ee/html5/thumbnails/49.jpg)
Teoría del campo ligandoLa teoría del campo ligando sugiere que lasinteracciones entre el ion central y los ligandos seefectúan por enlaces parcialmente covalentes.
Además de las consideraciones realizadas en laTCC incluye los enlaces metal-ligando sigma
(σ) y pi (π).
Esta teoría permite explicar la serieespectroquímica en función de considerar a losligandos con sus orbitales y no como cargaspuntuales.
![Page 50: Tom](https://reader033.fdocuments.ec/reader033/viewer/2022052413/559e4bbc1a28ab874a8b45ee/html5/thumbnails/50.jpg)
Δ
a1g+eg+t1u
LIGANDOSLIGANDOS
NO ENLAZANTESNO ENLAZANTES
ENLAZANTESENLAZANTES
ANTIENLAZANTESANTIENLAZANTES
eg*
a1g
t1u
eg
t2g
a1g*
t1u*
MLML66
a1g
t1u
METALMETAL
d
s
p
eg+t2g
OCTAEDRO
![Page 51: Tom](https://reader033.fdocuments.ec/reader033/viewer/2022052413/559e4bbc1a28ab874a8b45ee/html5/thumbnails/51.jpg)
HOMOHOMO
LUMOLUMO
Δ
a1g+eg+t1u
LIGANDOSLIGANDOS
eg*
a1g
t1u
eg
t2g
a1g*
t1u*
MLML66
a1g
t1u
METALMETAL
d
s
p
eg+t2g
OCTAEDRO
![Page 52: Tom](https://reader033.fdocuments.ec/reader033/viewer/2022052413/559e4bbc1a28ab874a8b45ee/html5/thumbnails/52.jpg)
HOMOHOMO
LUMOLUMO
Δ
a1+t2
LIGANDOSLIGANDOS
t2
a1
e
a1*
t2*
MLML44
a1
t2
METALMETAL
d
s
p
eg+t2g
t2*
TERAEDRO
![Page 53: Tom](https://reader033.fdocuments.ec/reader033/viewer/2022052413/559e4bbc1a28ab874a8b45ee/html5/thumbnails/53.jpg)
Los iones d0 y d10 no tienen transiciones d-d
Transiciones de transferencia de carga
TiF4 ion d0
TiCl4 ion d0
TiBr4 ion d0
TiI4 ion d0
[MnO4]- Mn(VII) ion d0
[Cr2O7]- Cr(VI) ion d0
[Cu(MeCN)4]+ Cu(I) ion d10 [Cu(phen)2]+ Cu(I) ion d10
Zn2+ ion d10
Púrpura intensoNaranja brillante
Blanco
BlancoBlancoNaranjaMarrón oscuro
IncoloroNaranja oscuro
Blanco
![Page 54: Tom](https://reader033.fdocuments.ec/reader033/viewer/2022052413/559e4bbc1a28ab874a8b45ee/html5/thumbnails/54.jpg)
Transiciones de transferencia de carga
MdLπ
Lσ
Lπ∗
t2g*
eg*
Transiciones TC L-M Transiciones de TC M-L
Transiciones d-d