6. GAIA: MOLEKULAK
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6. GAIA: MOLEKULAK
“Zientzia egia bilatzearen saiakera da, eta ez aurkako zientzilariren bat irabaztearen jokoa. Nazioarteko arazo larriak konpontzeko hobe genukeen espiritu zientifiko hau erabiltzea”.
Linus Pauling (1901-1994) (Kimika eta Bake-Nobel Sariduna)
C60
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MOLEKULEN ERAKETA
LOTURA IONIKOABALENTZIA-LOTURA
(kobalentea)
L. Pauling(1901-1994)
R. Mulliken(1896-1986)
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LOTURA IONIKOA
Period IA IIIA IVA VA VIA VIIA
Period 1H ... ... ... ... ...
-0.76 ... ... ... ... ...
Period 2Li B C N O F
-0.62 -0.28 -1.27 0 -1.43 -3.41
Period 3Na Al Si P S Cl
-0.55 -0.46 -1.39 -0.75 -2.08 -3.62
Period 4K Ga Ge As Se Br
-0.50 -0.31 -1.25 -0.80 -2.02 -3.37
Period 5Rb In Sn Sb Te I
-0.49 -0.31 -1.26 -1.05 -1.97 -3.06
Period 6Cs Tl Pb Bi Po At
-0.47 -0.31 -1.14 -1.14 -1.87 -2.80
Afinitate elektronikoa (eV)
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Ionizazio-energiak
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MolcIonization
Energy(eV)Positive Ion
Electron affinity (eV)
Negative Ion
DissociatiEnergy
(eV)
Equilibrium Separation
(nm)(Bond length)
Coulomb Energy (eV)Equilibrium
Pauli Repulsio
(eV)
NaCl 5.14 3.62 4.27 0.236 6.10 0.31
NaF 5.14 3.41 5.38 0.193 7.46 0.35
KCl 4.34 3.62 4.49 0.267 5.39 0.19
KBr 4.34 3.37 3.94 0.282 5.11 0.20
NaH 5.14 0.76 1.92 0.189 7.62 1.32
LiH 5.39 0.76 2.47 0.239 6.02 1.08
ClNaeta beste molekula ionikoak
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MOLEKULA KOBALENTEA (N2) ETA IONIKOAREN (FLi) ARTEKO DIFERENTZA
KARGA-DENTSITATEAN
FLiN2
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(BORN-OPPENHEIMER-REN HURBILKETA)
M. Born(1882-1970)
R. Oppenheimer(1904-1967)
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H2+ MOLEKULA
Distantzia Energia
Kalkulatutakoa 1.3 Å -1.76 eV
Experimentala 1.06 Å -2.8 eV
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H2 MOLEKULA
Distantzia Energia
Kalkulatutakoa 0.85 Å -2.68 eV
Experimentala 0.74 Å -4.75 eV.
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MOLEKULA KOBALENTEENKARGA-DENTSITATEA
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MOLEKULA KOBALENTEENKARGA-DENTSITATEA
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MOLEKULA KOBALENTEENKARGA-DENTSITATEA
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ORBITA MOLEKULARRAK
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J.D. van der Waals(1837-1923)
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ESPEKTRO MOLEKULARRAK
ESPEKTRO BIBRAZIONALA ESPEKTRO ROTAZIONALA
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HCl MOLEKULAREN ROTAZIO ETA BIBRAZIO ESPEKTROA
HCl MOLEKULAREN LOTURARENKONSTANTE-INDARRA
HCl MOLEKULAREN LOTURA-DISTANTZIA
kHCl=481 N/m dHCl=0.13 nm