The Born-Oppenheimer Separation

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Presentation transcript:

The Born-Oppenheimer Separation

The Born-Oppenheimer Separation Molecules electronic transitions E > 10000 cm-1

The Born-Oppenheimer Separation Molecules electronic transitions E > 10000 cm-1 Vibrational transitions E = 100-10000 cm-1

The Born-Oppenheimer Separation Molecules electronic transitions E > 10000 cm-1 Vibrational transitions E = 100-10000 cm-1 Rotational transitions E = 0.1 – 100 cm-1

The Born-Oppenheimer Separation H = Hel + Hvib + Hrot+ …

The Born-Oppenheimer Separation H = Hel + Hvib + Hrot+ …  = el vib rot …

The Born-Oppenheimer Separation H = Hel + Hvib + Hrot+ …  = el vib rot …  = i i

The Born-Oppenheimer Separation H = Hel + Hvib + Hrot+ …  = el vib rot …  = i i E = Eel + Evib + Erot +…

The Born-Oppenheimer Separation H = Hel + Hvib + Hrot+ …  = el vib rot …  = i i E = Eel + Evib + Erot +… E= i Ei Harry Kroto 2004

E(r) H + H v”=3 2 1 r 

Excited electronic states - often many H + H* v’=3 2 1 E(r) H + H v”=3 2 1 r 

Nuclear Energies H + H E(r) Chemical Energies Rotational levels r 

E(r) H + H r  Continuum wavefunction of a dissociating state Rotational levels r 

H + H E(r) Rotational levels r 

C* + N E(r) v’= 0 C + N v”=3 2 1 r 