Conversions utiles Dessins d`orbitales atomiques Constantes utiles

Constante Symbole Unités
Masse de l'électron Kg
Masse du proton Kg
Masse du neutron Kg
Unité de masse atomique u.m.a. Kg
Charge élémentaire eC
Rayon de Bohr m
Magneton de Bohr
Vitesse de la lumière dans le vide c
Constante de Planck hJ s
Constante de Rydberg J
Permittivité diélectrique du vide
Constante de Boltzmann k
Constante des gaz parfaits R 8.314510(70)
Nombre d'Avogadro
Valeura)
me 9.1093897(54) •10-31
mp 1.6726231(10) •10-27
mn 1.6749286(10) •10-27
1.6605402(10) •10-27
1.60217733(49) •10-19
a0 0.529177249(24) •10-10
B 9.2740154(3) •10-24 J T-1
2.99792458 •108m s-1
6.6260755(40) •10-34
R
2.1798741(13) •10-18
0 8.854187817 •10-12 J-1 C2 m-1
1.380658(12) •10-23 J K-1
J mol-1 K-1
NA 6.0221367(36) •1023 mol-1
Conversions utiles
a) CRC Handbook of Chemistry and Physics. 80th ed. CRC Press: Boca Raton, FL, 1997-1998.
Dessins d'orbitales atomiques
s
pxpypz
dxy dxz dyz dx2-y2 dz2
Constantes utiles
1 eV =1.602 •10-19 J = 96.485 kJ • mol-1
1 Debye =3.336 •10-30 C• m
1 Å = 10-10 m

H
-0.754
He
-
Li
-0.618
Be
-
B
-0.277
C
-1.263
N
-
O
-1.461
F
-3.401
Ne
-
Na
-0.548
Mg
-
Al
-0.441
Si
-1.385
P
-0.746
S
-2.077
Cl
-3.613
Ar
-
K
-0.501
Ca
-0.024
Ga
-0.300
Ge
-1.233
As
-0.810
Se
-2.021
Br
-3.363
Kr
-
Rb
-0.486
Sr
-0.048
In
-0.300
Sn
-1.112
Sb
-1.046
Te
-1.971
I
-3.059
Xe
-
H
13.598
He
24.587
Li
5.392
Be
9.322
B
8.298
C
11.260
N
14.534
O
13.618
F
17.423
Ne
21.565
Na
5.139
Mg
7.646
Al
5.986
Si
8.152
P
10.487
S
10.360
Cl
12.967
Ar
15.760
K
4.341
Ca
6.113
Ga
5.999
Ge
7.899
As
9.789
Se
9.752
Br
11.814
Kr
13.999
Rb
4.177
Sr
5.695
In
5.786
Sn
7.344
Sb
8.608
Te
9.010
I
10.451
Xe
12.130
H
2.20
3.06
He
-
-
Li
0.98
1.28
Be
1.57
1.99
B
2.04
1.83
C
2.55
2.67
N
3.04
3.08
O
3.44
3.22
F
3.98
4.43
Ne
-
4.60
Na
0.93
1.21
Mg
1.31
1.63
Al
1.61
1.37
Si
1.90
2.03
P
2.19
2.39
S
2.58
2.65
Cl
3.16
3.54
Ar
-
3.36
K
0.82
1.03
Ca
1.00
1.30
Ga
1.81
1.34
Ge
2.01
1.95
As
2.18
2.26
Se
2.55
2.51
Br
2.96
3.25
Kr
3.00
2.98
Rb
0.82
0.99
Sr
0.95
1.21
In
1.78
1.30
Sn
1.96
1.83
Sb
2.05
2.06
Te
2.10
2.34
I
2.66
2.88
Xe
2.60
2.59
Atome
Electronégativité (Pauling)b)
Electronégativité (Mulliken)c)
a) CRC Handbook of Chemistry and Physics. 80th ed. CRC Press: Boca Raton, FL, 1997-1998.
b) A. L. Allred, J. Inorg. Chem. 17, 215 (1961); L.C. Allen, J.E. Huheey, J. Inorg. Chem. 42, 1523 (1980).
c) L. C. Allen, J. Am. Chem. Soc. 11, 9003 (1989) (valeurs rapportées à l'échelle des valeurs de Pauling).
Potentiel d'ionisation (PI) en eVa)
A→A+ + 1e- ∆H = PI
Affinité électronique (AE) en eVa)
A + 1e-→A- ∆H = AE

Molécule
0.741 436.00
1.098 945.33
1.208 498.36
1.412 158.78
1.988 242.58
2.281 192.81
HF 0.917 569.87
HCl 1.275 431.62
HBr 1.414 366.35
1.609 298.41
CO 1.128 1076.50
1.530 376.00
1.316 728.30
1.181 965.00
Longueur de liaison(Å)b) Energie de dissociation
de liaison à 298K (kJ mol-1)b)
H2
N2
O2
F2
Cl2
Br2
HI
CH3 - CH3
CH2 = CH2
CH ≡ CH
a) B. Cordero et al., Dalton Trans. DOI: 10.1039/b801115j (2008).
b) CRC Handbook of Chemistry and Physics. 80th ed. CRC Press: Boca Raton, FL, 1997-1998.
H
0.31(5)
He
0.28
Li
1.28(7)
Be
0.96(3)
B
0.84(3)
C
sp3 0.76(1)
sp2 0.73(2)
sp 0.69(1)
N
0.71(1)
O
0.66(2)
F
0.57(3)
Ne
0.58
Na
1.66(9)
Mg
1.41(7)
Al
1.21(4)
Si
1.11(2)
P
1.07(3)
S
1.05(3)
Cl
1.02(4)
Ar
1.06(10)
K
2.03(12)
Ca
1.76(10)
Ga
1.22(3)
Ge
1.20(3)
As
1.19(4)
Se
1.20(4)
Br
1.20(3)
Kr
-1.16(4)
Rb
2.20(9)
Sr
1.95(10)
In
1.42(5)
Sn
1.39(4)
Sb
1.39(5)
Te
1.38(4)
I
1.39(3)
Xe
1.40(9)
Rayon de covalence (en Å)a)

Atome I II III IV V VI VII VIII IX X XI XII XIII XIV XV XVI XVII XVIII XIX XX
H 1.312
He 2.372 5.250
Li 0.520 7.298 11.815
Be 0.900 1.757 14.849 21.007
B 0.801 2.427 3.660 25.026 32.827
V 1.086 2.353 4.621 6.223 37.830 47.277
N 1.402 2.856 4.578 7.475 9.445 53.266 64.360
O 1.314 3.388 5.300 7.469 10.990 13.326 71.335 84.078
F 1.681 3.374 6.050 8.408 11.023 15.164 17.868 92.038 106.434
Ne 2.081 3.952 6.122 9.370 12.178 15.238 19.999 23.069 115.379 131.431
Na 0.496 4.562 6.912 9.544 13.353 16.610 20.115 25.490 28.934 141.363 159.075
Mg 0.738 1.451 7.733 10.540 13.628 17.995 21.704 25.656 31.643 25.462 169.991 189.367
Al 0.578 1.817 2.745 11.578 14.831 18.378 23.295 27.459 31.861 38.457 42.654 201.271 222.314
Si 0.787 1.577 3.232 4.356 16.091 19.679 23.786 29.252 33.877 38.733 45.934 50.511 235.205 257.921
P 1.012 1.903 2.912 4.957 6.274 21.269 25.397 29.854 35.867 40.959 46.272 54.072 59.036 271.799 296.193
S 1.000 2.251 3.361 4.564 7.013 8.496 27.106 31.670 36.578 43.138 48.705 54.482 62.874 68.230 311.099 337.136
Cl 1.251 2.297 3.822 5.158 6.540 9.362 11.018 33.605 38.598 43.962 51.067 57.118 63.362 72.340 78.096 352.991 380.757
Ar 1.521 2.666 3.931 5.771 7.238 8.781 11.995 13.842 40.760 46.187 52.002 59.652 66.199 72.918 82.472 88.600 397.602 427.064
K 0.419 3.051 4.411 5.877 7.976 9.649 11.343 14.942 16.964 48.576 54.431 60.699 68.894 75.948 83.150 93.400 99.770 444.898 476.061
Ca 0.590 1.145 4.912 6.474 8.144 10.496 12.320 14.207 18.192 20.382 57.084 63.333 70.053 78.792 86.368 94.000 104.900 111.600 494.887 572.760
Energies d'ionisation successives des éléments (en MJ • mol-1)a)
a) M. Bernard, Chimie Générale et Minérale.

A
Atome Z Configuration 1s 2s,2p 3s,3p (1s)σ(2s,2p)σE(1s) (eV) E(2s,2p) (eV)
H 1 1 0 0.00 -13.60 -13.60
He 2 2 0 0.30 -39.30 -78.61
Li 3 2 1 0.30 1.70 -99.14 -5.75 -204.03
Be 4 2 2 0.30 2.05 -186.18 -12.93 -398.23
B 5 2 3 0.30 2.40 -300.42 -22.98 -669.80
C 6 2 4 0.30 2.75 -441.86 -35.91 -1027.38
N 7 2 5 0.30 3.10 -610.50 -51.71 -1479.58
O 8 2 6 0.30 3.45 -806.34 -70.39 -2035.02
F 9 2 7 0.30 3.80 -1029.38 -91.94 -2702.32
Ne 10 2 8 0.30 4.15 -1279.62 -116.36 -3490.10
Ethéorique(A) (eV)
1s1
1s2
1s22s1
1s22s2
1s22s22p1
1s22s22p2
1s22s22p3
1s22s22p4
1s22s22p5
1s22s22p6
Atome Z Configuration 1s 2s,2p 3s,3p (1s)σ(2s,2p)σE(1s) (eV) E(2s,2p) (eV)
1 0 0.00
2 1 0.00 -54.40 -54.40
3 2 0.30 -99.14 -198.29
4 2 1 0.30 1.70 -186.18 -17.99 -390.35
5 2 2 0.30 2.05 -300.42 -29.59 -660.03
6 2 3 0.30 2.40 -441.86 -44.06 -1015.92
7 2 4 0.30 2.75 -610.50 -61.41 -1466.66
8 2 5 0.30 3.10 -806.34 -81.63 -2020.86
9 2 6 0.30 3.45 -1029.38 -104.73 -2687.14
10 2 7 0.30 3.80 -1279.62 -130.70 -3474.12
A+
Ethéorique(A+) (eV)
H+1s0
He+1s1
Li+1s2
Be+1s22s1
B+1s22s2
C+1s22s22p1
N+1s22s22p2
O+1s22s22p3
F+1s22s22p4
Ne+1s22s22p5
Atome
H 13.62 13.6
He 24.62 24.21
Li 5.4 5.75
Be 9.34 7.87
B 8.31 9.77
C 11.28 11.46
N 14.55 12.92
O 13.64 14.16
F 17.45 15.18
Ne 21.59 15.98
PI exp (eV) PIthéorique (eV)
Comparaison des potentiels d’ionisation expérimentaux et selon le modèle de Slater
A→A+ + 1e-
Calcul de l'énergie de A
Calcul de l'énergie de A+