R elat iv ist ic Effects in C hemi stry and in Atomic Physics
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Transcript of R elat iv ist ic Effects in C hemi stry and in Atomic Physics
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Jagiellonian University Institute of PhysicsJacek BierońDepartment of
Atomic Physics
Cracow
Why is Gold YellowRelativistic Effects in Chemistry and in Atomic Physics
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Helsingin Yliopisto Laboratoriet forsvensksprakigundervisning
Pekka PyykköKemian Laitos
Relativistiska effekter i kemi och i atomfysik
Varför är guldet gult?Miksi Kulta on Keltaista? Suhteellisuusteoreettisista Ilmiista Kemiassa ja Atomifysiikassa
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Uniwersytet Jagielloński Instytut FizykiJacek BierońZakład Optyki
Atomowej
Kraków, 8 kwietnia 2008
Dlaczego złoto jest żółteczyli efekty relatywistyczne w chemii i fizyce atomowej
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Quantum Mechanicsof Many-Electron Atoms
relativity ideas [...] are of no importance in the consideration of atomic and molecular structureand ordinary chemical reactions, in which it is,indeed, usually sufficiently accurate if one neg-
lects relativity variation of mass with velocityand assumes only Coulomb forces between the
various electrons and atomic nuclei.
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Simple, Bohring algebra …
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Speed of a Bohr electronnrmL ...3,2,1n
rm )1( n
2
22
rZe
rm
22 Zerm
cceZZe
22
137/1
Z(Au) = 79
for Z=137 v ~ ccZ
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Size of a Bohr atomnrmL ...3,2,1n
rm )1( n
2
22
rZe
rm
2222
Zemrrm
mZer
12
2
m2
0a(Bohr radius)
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mZer
12
2
rZem 22 2
Energy of a Bohr atom
cZ
2
42
2meZ
2220
42
1
1
2 c
meZ
for 35.191 U
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Relativistic effects
Difference between two models:
22
0 1 cmm
1c skm5103
c
„relativistic”
„nonrelativistic”0mm
„effect” of a model, not a physical effect
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Résumé
cZ 22
0
22
0 1/1 Zmcmm
2220
42
2
42
11
22
ZmeZ
meZ
Coulomb Einstein
mm
Za
mZer 00
2
2 1 mm
rNR0
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0mmcv NRrrNR
Relativistic effectsin hydrogenic ions
Zfor 82.078
NRrrAu
2222 cZ
1
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Aufbau
Non-Rel. Rel.
1s
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Orthogonal orbitals
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Relativistic aufbau
Non-Rel. Rel. Non-Rel. Rel.
1s
2s
3s
7s
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Orthogonal orbitals
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Relativistic effectsin the shell structure of heavy atoms
Non-Rel. Rel. Non-Rel. Rel.
f - ekspansiond - ekspansion...s - contraction
1s
2s
3s
7s4d4f
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Energies of valence electrons
2.3 eV
3.5 eV
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Energy levels inatoms, molecules, and solids
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Energy bands in solids
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Optical reflectivity
Ag
Au
3.5 eV
2.3 eV
Energy of incident light [eV]
Ref
lect
ivity
inde
x [%
]
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Physiology of color
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Color wheel
absorbedcolor
colorperceived
inreflected
light
(complementary colors)
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Color perceived in reflected lightcolor
absorbedcolor
perceived
temat na seminarium?
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Bismuth is trivalent
Relativistic effects in chemistry
Gold is yellow
Mercury is liquid
CsAu exists
Ground state configuration:10d19sd
29110 6565( sdsd forbidden transition, so isolated Au atom is „white”)
Platinum Pt (palladium Pd )
(while CsAg does not)
(while cadmium is solid)
(while antymony – penta-)
(while silver is white)
Thank you for your attention