| Class |
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Notation |
Process |
Restrictions (Selection Rules) (States) |
Selection Rules (Transitions) |
Selection Rules (MathML) |
| Diatomic closed shell |
dcs |
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| Hund’s case (a) diatomics |
hunda |
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| Hund’s case (b) diatomics |
hundb |
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Closed-shell, linear triatomic molecules |
ltcs |
ltcs_Notation_Dinf_h_Normal_Modes |
Absorption |
1. l2 = v2
2. J ≥ l2
3. if l2 =0, then ε = e. (ε = ltcs:kronigParity)
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Permitted transitions
- ΔJ = 0 | -1 | +1
- if ΔJ = 0, then ltcs:kronigParity has to be changed (e←f, f←e)
- if ΔJ =/= 0, then ltcs:kronigParity has not to be changed (e←e f← f)
- if l2' = l2 " = 0, then independently at J - Q - branch is prohibited.
- thansition permitted if Δv2 + Δv3 = 2n+1, n=0,1,2,3, .... ( Δvi = |vi' - vi"| )
Prohibited transitions
[ (-1)v3+v2 =1 и ε(-1)J=-1] или [ (-1)v3+v2 =-1 и ε(-1)J=1]
here ε=1 in case of ltcs:kronigParity=e and ε=-1 in case of ltcs:kronigParity=f.
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| ltcs_Notation_Cinf_v_Normal_Modes |
Absorption |
1. l2 = v2
2. J ≥ l2
3. if l2 =0, then ε = e. (ε = ltcs:kronigParity)
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Permitted transitions
- ΔJ = 0 | -1 | +1
- if ΔJ = 0, then ltcs:kronigParity has to be changed (e←f, f←e)
- if ΔJ =/= 0, then ltcs:kronigParity has not to be changed (e←e f←f)
- if l2' = l2 " = 0, then independently at J - Q - branch is prohibited.
- thansition permitted if Δv2 + Δv3 = 2n+1, n=0,1,2,3, .... ( Δvi = |vi' - vi"| )
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| ltcs_Notation_Dinf_h_CDSD |
Absorption |
Prohibited states
(m(-1)J=-1 и (-1)P=1) or (m(-1)J=1 и (-1)P=-1),
where m=1 for ltcs:kronigParity=e and m=-1 for ltcs:kronigParity=f .
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Permitted transitions
- ΔJ = 0 | -1 | +1
- if ΔJ = 0, then ltcs:kronigParity has to be changed (e ← f, f ← e)
- if ΔJ =/= 0, then ltcs:kronigParity has not to be changed (e ← e f ← f)
- ΔP=P '' - P ' = 2n+1, n=0,1,2,... (P=ltcs_notation:P)
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| ltcs_Notation_Cinf_v_CDSD |
Absorption |
Prohibited states
(m(-1)J=-1 и (-1)P=1) or (m(-1)J=1 и (-1)P=-1),
where m=1 for ltcs:kronigParity=e and m=-1 for ltcs:kronigParity=f .
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Permitted transitions
- ΔJ = 0 | -1 | +1
- if ΔJ = 0, then ltcs:kronigParity has to be changed (e ← f, f ← e)
- if ΔJ =/= 0, then ltcs:kronigParity has not to be changed (e ← e f ← f)
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Closed-shell, non-linear triatomic molecules |
nltcs
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nltcs_Notation_C2v_Normal_Modes |
Absorption |
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| nltcs_Notation_Cs_Normal_Modes |
Absorption |
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| nltcs_Notation_C2v_BT2 |
Absorption |
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| nltcs_Notation_Cs_VTT |
Absorption |
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| Closed-shell, symmetric top molecules |
stcs |
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| Closed-shell, linear, polyatomic molecules |
lpcs |
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| Closed-shell, asymmetric top molecules |
asymcs |
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| Open-shell, asymmetric top molecules |
asymos |
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| Closed-shell, spherical top molecules |
sphcs |
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| Open-shell, spherical top molecules |
sphos |
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| Open-shell, linear triatomic molecules |
ltos |
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| Open-shell, linear, polyatomic molecules |
lpos |
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| Open-shell, non-linear triatomic molecules |
nltos |
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