introduction to electron configuration

3-1 3:

3: 3.1:

19 20 (black body)

( : )

( max) max

(John William Strutt, 3rd Baron Rayleigh: 1842 1919) (Sir James Hopwood Jeans: 1877 1946)

Marvin 5.5.0 JChem 5.5.0 Chemaxon (http://www.chemaxon.com) 2011

3.1: (), ()

3.2:

3.1: 3-2

UV (UV catastrophe)

(Max Planck:1858 1947)

E = hc (3.1)

E = n hc (3.2): E

h (Plancks constant) = 6.6260710-34 Jsc = 2.99792108 m/s n (n )

(quantum, (pl.) quanta)

3.1:


3-3 3.2:

3.2:

1. (amplitude)

2. (wavelength: ) 1 ()

3. (frequency: f: ) 1

4. (period: T) 1 ( T = 1f )

(speed of wave: v: u)

u = f (3.3)


3.3:

3.2: 3-4

(electromagnetic wave)

(3.3) (3.3)

c = (3.4)

3.2:

380 nm 750 nm

3.3:

( E = hc ) ()


3.4: (: sob.nao-rozhen.org)

3-5 3.3: (photoelectric)

3.3: (photoelectric)

(photoelectron) (threshold frequency)

(Albert Einstein: 1879 1955) h (photon)

E = h = hc (3.5)

3.1:

1.

= 5.0010-2 nm

= 1000 nm


3.3: (photoelectric) 3-6

= 7.500103

= 98.5 MHz

= 2.0 THz

2.

6.62610-16 J

2.65210-19 J

320 aJ


3-7 3.3: (photoelectric)

(work function: W)

W = h 0 (3.6)

: 0

(kinetic energy: KE)

h = W KE (3.7)

3.2:

1. 581 nm 1000 m/s

2. 6.9310-19 J 2.50 PHz

3. 3.66 eV 1000 V


3.4: 3-8

3.4:

(continuous spectrum)

(line spectrum)

...

1. (emission line spectrum)

2. (absorption line spectrum)

*** ( 3.5)


3.5:

3.6: H2

3.7: H2

3-9 3.4:

(Niels Bohr: 1885 1962) ...

1. () (ground state)

2. (excited state)

3.

(angular momentum: L)

L = mvr = n (3.8)

: = h2m v r n


3.8:

3.9:

3.4: 3-10

K L, M, N 1, 2, 3,

Z

0 = 8.854101012 C2

Nm2

e

: F = 140

q1 q2

r 2

: F = 140Zee

r 2

= 140Ze

2

r 2(3.9)

F

F = mv2

r

: 140

Ze2

r 2= mv

2

r1

80Ze

2

r =12

mv2 = KE (3.10)

: PE = 140

q1 q2

r

: PE = 140Zee

r

= 140Ze

2

r

: E = KE + PE

: E = 180

Ze2

r 1

40Ze

2

r

E = Ze2

80 r (3.11)


3-11 3.4:

(3.8) : v = nmr v (3.10): 1

80Ze

2

r= 1

2m nmr

2

rn =0 n

2 h2

Zme2 (3.12)

r n ( ) (3.12) ( Z 1 )

rn = n2(0.53 ) (3.13)

(3.12) r r

rn (3.11): En = Ze

2

80 0 n2 h2Zme2 =

Z2 me4

8 02 h2 n2

(3.14)

(7)

En = 13.6057

n2eV

= 2.179871018

n2J

(3.15)

E = E fE i (3.16)

: E E < 0: E > 0:

Ef Ei


3.4: 3-12

E =hc

hc =

E fE i

= 2.179871018n f2 J 2.179871018

n i2 J

= 2.179871018 J 1n i2 1n f2

1 =

2.179871018 Jhc

1n i2 1n f2 = 1.0973710

7 m1 1n i2 1n f2 1.09737107 m-1 (Rydberg constant: RH: R)

1 = R 1n i2 1nf2 (3.17)

3.3:

1. n = 5 n = 2

2. n = 1


3-13 3.4:

3. (Balmer series) n = 2

3.5:

1. L = n

2.

(Louis de Broglie:1892 1924)

1mv = h

mv (3.18)


3.5: 3-14

3.4:

0.20 kg 180 km/h

(standing wave)

( 1) / 2

( 2) 2 / 2

( 3) 3 / 2

/ 7 3 / 5

() , 2, 3, 4, ( /2, 3/2, 5/2, 7/2 )


3.10:

3-15 3.5:

()

2r = n

(3.18): 2r = n hmv mvr = n h2

= n

3.6:

(Werner Heisenberg: 1901 1976)

xp h4 (3.19)

: x p

p = mv = mv


3.11:

3.6: 3-16

1926 (Erwin Scrdinger: 1887 1961) (Scrdinger equation) ()

( psi) (wave function) (atomic orbital)

(2) ( )

(quantum number) 3

1. (principal quantum number: n) (1, 2, 3, 4, 5, ...)

2. (angular momentum quantumnumber: ) 0 n1 n=5 0, 1, 2, 3, 4

0 s sharp1 p principal2 d diffuse3 f fundamental4 g

f5 h


3-17 3.6:

n=2 =1 2p

3. (magnetic quantum number: m) (suborbital) =3 7 m -3, -2, -1, 0, 1, 2, 3

(spin) 2

4. (spin quantum number: ms) 2 12

12

n m 1 0 0 1 1s

20 0 1 2s1 -1, 0, 1 3 2px, 2py, 2pz 2p

3

0 0 1 3s1 -1, 0, 1 3 3px, 3py, 3pz 3p

2 -2, -1, 0, 1, 2 5 3dxy , 3dyz , 3dxz , 3dx 2y2 , 3dz2 3d

(n,,m,ms) (2,0,0, 12 )

2s 12 2 (Pauli

exclusion principle) 4 1s 12 (1,0,0,

12 )

12

4 12

(1,0,0, 12 )


3.6: 3-18

3.4:

1. 3d

(electron cloud)

90

s, p d

s: n 1s 2s 3s

p: 2 () x, y z (px x, py y, pz z)

d: 4 3dxy , 3dyz , 3dxz 4 2 3dx 2y2 x y 3dz2 z


3-19 3.6:

1s 2s 3s

2p (: 2px, 2py, 2pz)

3d ( 3dxy , 3dxz , 3dyz , 3dx 2y2 , 3dz2 )

3.12: s, p d


3.7: (electron configuration) 3-20

3.7: (electron configuration)

(orbital diagram)

1s 1s 1

2p 2p 3

1s1 1s 1 ( ( ) )

1s2 1s 2 ( ( )

)

2p4 2p 4

n

1s 2s=2p 3s=3p=3d 4s=4p=4d=4f ...


3.13:

3-21 3.7: (electron configuration)

1s 2s 2p 3s 3p 4s 3d 4p 5s 4d 5p

2px=2py=2pz 2p1

2p2

2p2

2p2

(Frederick Hund: 1896 1997)

(Hunds rule) 2p 2 2p

2p1

2p2

2p3

2p4

2p5

2p6

( O816 )

O1s2

2s2

2p4


3.14:

3.15:


3.5:

20

20 (Z=92) 1s22s22p4



3.6:

20

Li 1s2 He Na 1s22s22p6 Ne K 1s22s22p63s23p6 Ar

() (noble gas core)

O [He]2s22p4

Mg [Ne]3s2 Ar [Ne]3s23p6



1 2 s s 13 18 p p 3 12 d d ()

f f

(full-filled)

3d10

(half-filled)

3d5

() 5

1. 2. 3. 4. 5.

1 2 (ionization)

5

3 4

3d 4s Cr Cu



3.5:

Cr Cu ( [Ar] )

3d 4s 3d half-filled full-filled 4s

Pd ([Kr]4d10) Gd ([Xe]6s24f75d1)

3.8:

(diamagnetic) He, Be

He1s2

Be1s2

2s2

(paramagnetic) Li, Cu

Li1s2

2s2

Cr [Ar] 4s1

3d5

*** Orbital Viewer 1.04 David Manthey (http://www.orbitals.com/orb) 2004


3.8: 3-26


3: 3.1: 3.2: 3.3: (photoelectric)3.4: 3.5: 3.6: 3.7: (electron configuration)3.8:

introduction to electron configuration

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