Sarah and David present:

Sarah and David present:

*Named after William Swan, not the bird.

*

The Swan Band

The Swan Band

• 460-560nm• d 3Πg a 3Πu

• Leyfileg tilfærsla:– ΔΣ = 0– ΔΛ = 0, ± 1– g u

Band Head

Band Head assignment

Birge-Sponer method

Δ ῡ𝑣 ,𝑣+1=ω𝑒−2ω𝑒𝑥𝑒(𝑣+1)

Δ ῡ𝑣 ,𝑣+1=−2ω𝑒 𝑥𝑒 (𝑣+1 )+ω𝑒

Δ ῡ𝑣 ,𝑣+1=𝑎𝑥+𝑏

𝑎=−2ω𝑒𝑥𝑒

𝑥=𝑣+1𝑏=ω𝑒

Deslandres Table

v' || v'' 0 1 2 30 19330.15

1 21079.4 19467.53 17872.9

2 21179.3 19613.14 18013.9

3 21258.7

4 21316.2

Birge-Sponer

Birge-Sponer

• v‘

Δ ῡ𝑣 ,𝑣+1=𝑎𝑥+𝑏

𝑎=−2ω𝑒𝑥𝑒

𝑥=𝑣+1𝑏=ω𝑒

𝑎=−51.845=−2ω𝑒𝑥𝑒

ω𝑒𝑥𝑒=−51.845−2

=25.925

𝑏=ω𝑒=1810.6

• v‘‘

𝑎=−6.315=−2ω𝑒𝑥𝑒

ω𝑒𝑥𝑒=−6.315−2

=3.158

𝑏=ω𝑒=1609.8

Birge-Sponer

d 3Πg

a 3Πu

Lágmarksrafeindaorkumismunur𝐸 (𝑣 )=ω𝑒(𝑣+ 1

2 )−ω𝑒𝑥𝑒(𝑣+ 12 )

2

𝐸 (𝑣=0 )=12ω𝑒−

14ω

𝑒

𝑥𝑒

)

(20022.50+( 12 ∗1788.22− 14 ∗16.44))−(716.2+( 12∗1641.35− 14 ∗11.67))¿19234.1𝑐𝑚− 1

(0,0) head band: 19330.2 cm-1

Δ=0.5%

Comparison to simulation

Pgopher: Constants From G. M. Lloyd and P. Ewart , Journal of Chemical Physics 110, 385 (1999)

Spectrum appearanceand factors that affect it

• Franck-condon factors

• Temperature

FRANCK CONDON FACTORS

Temperature 300K