Download Aula 1 - introdução

9/5/2016
• Prof. Márcio Peres de Araujo
• http://www.quimica.ufpr.br/mparaujo
• E-mail: [email protected] /
[email protected]
• Gabinete 23
Aula 1
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Livros:
1- Shriver, D.F., Atkins, P.W., Química Inorgânica, trad. 4a ed. Inglesa,
Bookman, São Paulo, 2006. (texto base)
2- Lee, J.D., Química Inorgânica Concisa, trad. 5a ed. Inglesa, Ed.
Edgard Blucher, São Paulo, 1999.
3- Huheey, J.E., Keiter, E.A., Keiter, R.L., Inorganic Chemistry –
Principles of Structure and Reactivity, 4a ed., Harper Collins College
Publishers, New York, 1993.
O que é Química Inorgânica?
Química Orgânica é:
A química da vida
A química dos compostos de carbono
(C, H, N, O)
Química Inorgânica é:
A química de todo o resto
A química de toda a tabela periódica
(incluindo o carbono)
Compostos
orgânicos
Compostos
inorgânicos
Ligações simples


Ligações duplas


Ligações triplas


Ligações
quádruplas
Número de
coordenação
Geometria


Constante
Variável
“Fixa”
Variável
Química Inorgânica
Compostos
organometálicos
Química
Orgânica
Compostos de
coordenação
Bioquímica
Química
bioinorgânica
Química
Ambiental
Química do
Estado sólido
Ciências dos Materiais
&
nanotecnologia
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Ligações simples e múltiplas em compostos orgânicos e inorgânicos
Números de coordenação
não-usuais para H e C
Geometrias típicas dos compostos inorgânicos
Inorganic chemistry has always been relevant in human history
• Ancient gold, silver and copper objects, ceramics, glasses (3,000-1,500 BC)
• Alchemy (attempts to “transmute” base metals into gold led to many discoveries)
• Common acids (HCl, HNO3, H2SO4) were known by the 17th century
• By the end of the 19th Century the Periodic Table was proposed and the early atomic
theories were laid out
• Coordination chemistry began to be developed at the beginning of the 20th century
• Great expansion during World War II and immediately after
• Crystal field and ligand field theories developed in the 1950’s
• Organometallic compounds are discovered and defined in the mid-1950’s (ferrocene)
• Ti-based polymerization catalysts are discovered in 1955, opening the “plastic era”
• Bio-inorganic chemistry is recognized as a major component of life
Nanotecnologia
Hemoglobin
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Alguns exemplos de uso de compostos inorgânicos
Catalysts: oxides, sulfides, zeolites, metal complexes, metal particles and colloids
Semiconductors: Si, Ge, GaAs, InP
Polymers: silicones, (SiR2)n, polyphosphazenes, organometallic catalysts for polyolefins
Superconductors: NbN, YBa2Cu3O7-x, Bi2Sr2CaCu2Oz
Magnetic Materials: Fe, SmCo5, Nd2Fe14B
Lubricants: graphite, MoS2
Nano-structured materials: nanoclusters, nanowires and nanotubes
Fertilizers: NH4NO3, (NH4)2SO4
Paints: TiO2
Disinfectants/oxidants: Cl2, Br2, I2, MnO4Water treatment: Ca(OH)2, Al2(SO4)3
Industrial chemicals: H2SO4, NaOH, CO2
Organic synthesis and pharmaceuticals: catalysts, Pt anti-cancer drugs
Biology: Vitamin B12 coenzyme, hemoglobin, Fe-S proteins, chlorophyll (Mg)
Espectros atômicos do átomo de hidrogênio
Quantum
number n
Energy

Estrutura atômica
Breve revisão
0
-1/25R H
-1/16R H
-1/9R H
Paschen
series (IR)
6
5
4
3
Níveis de energia no átomo de hidrogênio
E = R H 12
n
Balmer series (vis)
-1/4R H
.
.
2
E = RH 12 1 2
nl nh
Teoria de Bohr de órbitas circulares.
Funciona para hidrogênio, mas falha
para os demais átomos
Lyman series (UV)
-RH
Equações fundamentais da mecânica quântica
Planck
quantization of energy
E = hn
h = Planck’s constant
n= frequency
de Broglie
wave-particle duality
λ = h/mv
 = wavelength
h = Planck’s constant
m = mass of particle
v = velocity of particle
Heisenberg
uncertainty principle
∆x ∆px  h/4π
Schrödinger
wave functions

H   E
Energia das transições no átomo de hidrgênio
∆x uncertainty in position
∆px uncertainty in momentum
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Quantum mechanics requires changes in our way of looking at
measurements.
From precise orbits to orbitals:
mathematical functions describing the probable location and
characteristics of electrons
electron density:
probability of finding the electron in a particular portion of
space
H: Hamiltonian operator
: wave function
E : Energy
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Quantum numbers for atoms
Principal quantum number
n = 1, 2, 3, 4 ….
determines the energy of the electron (in a one electron atom) and
indicates (approximately) the orbital’s effective volume
Symbol
Name
Values
Role
n
Principal
1, 2, 3, ...
Determines most of the energy
l
Angular
momentum
0, 1, 2, ..., n-1
Describes the angular dependence (shape) and
contributes to the energy for multi-electron
atoms
ml
Magnetic
0, ± 1, ± 2,..., ±
l
Describes the orientation in space relative to an
applied external magnetic field.
ms
Spin
± 1/2
Describes the orientation of the spin of the
electron in space
En  
2 2 me e 4
e2
k

 2
2rn
n2h2
n
Orbitals are named according to the l value:
l
0
1
2
3
4
5
orbital
s
p
d
f
g
...
n=1
2
3
Angular momentum quantum number
l = 0, 1, 2, 3, 4, …, (n-1)
s, p, d, f, g, …..
determines the number of nodal surfaces
(where wave function = 0).
s
4