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physics_chemistry:point_groups [2021/05/17 09:32] – Maurits W. Haverkortphysics_chemistry:point_groups [2022/11/02 15:11] (current) – Maurits W. Haverkort
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 ====== Point groups ====== ====== Point groups ======
- 
  
 ### ###
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 ===== A flow diagram to determine the point group ===== ===== A flow diagram to determine the point group =====
 +
 +<diagram>
 +| | | | | | | | | AAA | | | | | | |AAA=A point in space
 +| | | | | | | | | |!| | | | | | | |
 +| | | |,|-|-|-|-| BBB |-|-|-|-|.| | | |BBB=Linear ($C_{\infty}$)?
 +| | | YES | | | | | | | | | | NON | | |NON{border-color:#fff}=No|YES{border-color:#fff}=Yes
 +| | | |!| | | | | | | | | | | |!| | | |
 +| |,| CCC |.| | | |,|-|-|-|-| DDD |-|-|-|-|-|.| |CCC=Inversion ($i$)?|DDD=Two or more $C_n$ \\ with $n>2$?
 +| YES | | NON | | YES | | | | | | | | | | | NON |NON{border-color:#fff}=No|YES{border-color:#fff}=Yes
 +| |!| | | |!| | | |!| | | | | | | | | | | | |!| |
 +| Dih | | Civ |,| CCC |.| | | | | |,|-|-|-| GGG |-|-|-|.| |Dih{border-color:800;background-color:#faa}=$D_{\infty h}$|Civ{border-color:800;background-color:#faa}=$C_{\infty v}$|CCC=Inversion ($i$)?|GGG=$C_n$?
 +| | | | | | | YES | | NON | | | | YES | | | | | | | | NON |NON{border-color:#fff}=No|YES{border-color:#fff}=Yes
 +| | | | | | | |!| | | |!| | | | | |!| | | | | | | | | |!| |
 +| | | | | |,| EEE |.| Tds |,|-|-| FFF |-|-|.| | | |,| HHH |.| |EEE=$C_5$?|Tds{border-color:800;background-color:#faa}=$T_{d}$|FFF=$n \, C_2 \, \perp \, C_n$?|HHH=$\sigma_h$?
 +| | | | | YES | | NON | | YES | | | | | | NON | | YES | | NON |NON{border-color:#fff}=No|YES{border-color:#fff}=Yes
 +| | | | | |!| | | |!| | | |!| | | | | | | |!| | | |!| | | |!| |
 +| | | | | Ihs | | Ohs |,| HHH |.| | | |,| HHH |.| Css |,| CCC |.| |Ihs{border-color:800;background-color:#faa}=$I_h$|Ohs{border-color:800;background-color:#faa}=$O_h$|HHH=$\sigma_h$?|Css{border-color:800;background-color:#faa}=$C_s$|CCC=Inversion ($i$)?
 +| | | | | | | | | | | YES | | NON | | YES | | NON | | YES | | NON |NON{border-color:#fff}=No|YES{border-color:#fff}=Yes
 +| | | | | | | | | | | |!| | | |!| | | |!| | | |!| | | |!| | | |!| |
 +| | | | | | | | | | | Dnh |,| III |.| Cnh |,| CCC |.| Cis | | C1s |Dnh{border-color:800;background-color:#faa}=$D_{nh}$|III=$n\, \sigma_v$?|Cnh{border-color:800;background-color:#faa}=$C_{nh}$|CCC=$n \, \sigma_v$?|Cis{border-color:800;background-color:#faa}=$C_{i}$|C1s{border-color:800;background-color:#faa}=$C_1$
 +| | | | | | | | | | | | | YES | | NON | | YES | | NON |NON{border-color:#fff}=No|YES{border-color:#fff}=Yes
 +| | | | | | | | | | | | | |!| | | |!| | | |!| | | |!| |
 +| | | | | | | | | | | | | Dnd | | Dns | | Cnv |,| JJJ |.|Dnd{border-color:800;background-color:#faa}=$D_{nd}$|Dns{border-color:800;background-color:#faa}=$D_n$|Cnv{border-color:800;background-color:#faa}=$C_{nv}$|JJJ=$S_{2n}$?
 +| | | | | | | | | | | | | | | | | | | | | | | YES | | NON |NON{border-color:#fff}=No|YES{border-color:#fff}=Yes
 +| | | | | | | | | | | | | | | | | | | | | | | |!| | | |!| |
 +| | | | | | | | | | | | | | | | | | | | | | | S2n | | Cns |S2n{border-color:800;background-color:#faa}=$S_{2n}$|Cns{border-color:800;background-color:#faa}=$C_{n}$
 +</diagram>
  
 <flow> <flow>
 +
 graph TD; graph TD;
-    A[A point in space]-->B["Linear (C<sub>&infin;</sub>) ?"]; + 
-    B-->|yes|C[i?]; +    A[A point in space] %%-->%% B["Linear (C<sub>&infin;</sub>) ?"]; 
-    B-->|no|D[Two or more C<sub>n</sub>,<br> with n>2?]; +    B %%-->%% |yes|C[i?]; 
-    C-->|yes|Dinfh(("D<sub>&infin; h</sub>")); +    B %%-->%% |no|D[Two or more C<sub>n</sub>,<br> with n>2?]; 
-    C-->|no|Cinfv(("C<sub>&infin; v</sub>")); +    C %%-->%% |yes|Dinfh(("D<sub>&infin; h</sub>")); 
-    D-->|yes|E[i?]; +    C %%-->%% |no|Cinfv(("C<sub>&infin; v</sub>")); 
-    D-->|no|F[C<sub>n</sub>?]; +    D %%-->%% |yes|E[i?]; 
-    E-->|yes|G[C<sub>5</sub>?]; +    D %%-->%% |no|F[C<sub>n</sub>?]; 
-    E-->|no|Td((T<sub>d</sub>)); +    E %%-->%% |yes|G[C<sub>5</sub>?]; 
-    G-->|yes|Ih((I<sub>h</sub>)); +    E %%-->%% |no|Td((T<sub>d</sub>)); 
-    G-->|no|Oh((O<sub>h</sub>)); +    G %%-->%% |yes|Ih((I<sub>h</sub>)); 
-    F-->|yes|H[Are there n C<sub>2</sub> <br> perpendicular to C<sub>n</sub> <br> for the largest n?]; +    G %%-->%% |no|Oh((O<sub>h</sub>)); 
-    F-->|no|I["&sigma;?"]; +    F %%-->%% |yes|H[Are there n C<sub>2</sub> <br> perpendicular to C<sub>n</sub> <br> for the largest n?]; 
-    H-->|yes|J["&sigma;<sub>h</sub>?"]; +    F %%-->%% |no|I["&sigma;?"]; 
-    H-->|no|K["&sigma;<sub>h</sub>?"]; +    H %%-->%% |yes|J["&sigma;<sub>h</sub>?"]; 
-    J-->|yes|Dnh((D<sub>nh</sub>)); +    H %%-->%% |no|K["&sigma;<sub>h</sub>?"]; 
-    J-->|no|L["n &sigma;<sub>d</sub>?"]; +    J %%-->%% |yes|Dnh((D<sub>nh</sub>)); 
-    L-->|yes|Dnd((D<sub>nd</sub>)); +    J %%-->%% |no|L["n &sigma;<sub>d</sub>?"]; 
-    L-->|no|Dn((D<sub>n</sub>)); +    L %%-->%% |yes|Dnd((D<sub>nd</sub>)); 
-    K-->|yes|Cnh((C<sub>nh</sub>)); +    L %%-->%% |no|Dn((D<sub>n</sub>)); 
-    K-->|no|M["n &sigma;<sub>v</sub>?"]; +    K %%-->%% |yes|Cnh((C<sub>nh</sub>)); 
-    M-->|yes|Cnv((C<sub>nv</sub>)); +    K %%-->%% |no|M["n &sigma;<sub>v</sub>?"]; 
-    M-->|no|N[S<sub>2n</sub>?]; +    M %%-->%% |yes|Cnv((C<sub>nv</sub>)); 
-    N-->|yes|S2n((S<sub>2n</sub>)); +    M %%-->%% |no|N[S<sub>2n</sub>?]; 
-    N-->|no|Cn((C<sub>n</sub>)); +    N %%-->%% |yes|S2n((S<sub>2n</sub>)); 
-    I-->|yes|Cs((C<sub>s</sub>)); +    N %%-->%% |no|Cn((C<sub>n</sub>)); 
-    I-->|no|O[i?]; +    I %%-->%% |yes|Cs((C<sub>s</sub>)); 
-    O-->|yes|Ci((C<sub>i</sub>)); +    I %%-->%% |no|O[i?]; 
-    O-->|no|C1((C<sub>1</sub>));+    O %%-->%% |yes|Ci((C<sub>i</sub>)); 
 +    O %%-->%% |no|C1((C<sub>1</sub>));
     click Ci "https://www.quanty.org/physics_chemistry/point_groups/ci";     click Ci "https://www.quanty.org/physics_chemistry/point_groups/ci";
     click Cs "https://www.quanty.org/physics_chemistry/point_groups/cs";     click Cs "https://www.quanty.org/physics_chemistry/point_groups/cs";
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     click Dinfh "https://www.quanty.org/physics_chemistry/point_groups/dinfh";     click Dinfh "https://www.quanty.org/physics_chemistry/point_groups/dinfh";
     click Cinfv "https://www.quanty.org/physics_chemistry/point_groups/cinfv";     click Cinfv "https://www.quanty.org/physics_chemistry/point_groups/cinfv";
 +
 </flow> </flow>
  

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