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15th Group

Nitrogen (N)

  • **Default: ** NH3
  • Molecules:

    • Neutral atoms

      • Implicit hydrogens are added to have 3 bonds (if nitrogen has at least 1 bond).
        1
        2
        3
        4
        5
          More than 3 bonds are forbidden.
        
          If nitrogen has 4 ligands, charge is not set, hence not accepted
        
          Pentavalent N is accepted in traditional form by default, but keep in mind that these forms are not correct. Use the "ylide" from of the N atom which satisfies the correct valence electron count:
        
traditional form "ylide" form
images/download/attachments/1806267/trad1.png images/download/attachments/1806267/octet1.png
images/download/attachments/1806267/trad2.png images/download/attachments/1806267/octet2.png
images/download/attachments/1806267/trad3.png images/download/attachments/1806267/octet3.png
images/download/attachments/1806267/vc1t.png images/download/attachments/1806267/vc1y.png
1
* It's possible to accept only the "ylide" form using the MoleculeGraph.setValenceCheckOptions() function.

* Charged atoms in a molecule:

 1
 2
 3
 4
 5
 6
 7
 8
 9
10
11
12
13
14
15
* *Positive charge:*

  * 1+: 4 bonds needed (incluing implicit hydrogens)

  * 2+: 3 bonds needed (incluing implicit hydrogens)

  * 3+: 2 bonds needed (incluing implicit hydrogens)

  * 4+: 1 bonds needed (incluing implicit hydrogens)

  * 5+: 0 bonds needed (incluing implicit hydrogens)

  * 6+ or more: not allowed

* *Negative charge:*  Every added negative charge decreases by one the number of possible bonds. Maximum charge accepted is -3.

* *Radical: * Every added radical on these atoms decreases by one the number of bonds. Maximum three added radical is allowed.

* Aromatic compounds: Nitrogen may form aromatic bonds as well.

Phosphorus (P), Arsenic (As), Antimony (Sb), Bismuth (Bi)

  • Default: PH3, AsH3, SbH3, Bi
  • Molecules:

    • Neutral atoms:

      • 1 bond: 2 implicit Hydrogens are added.
      • 2 bond: 1 implicit Hydrogen is added.
      • 3 bond: 0 implicit Hydrogen is added.
      • 4 bond: 1 implicit Hydrogen is added.
      • 5 bond: 0 implicit Hydrogen is added.
      • More than 5 bonds are forbidden
    • Charged atoms in a molecule:

      • Positive charge:

        • 1+: 4 bonds are necessary (including implicit Hydrogens).
        • 2+: 3 bond is necessary (including implicit Hydrogens).
        • 3+: 2 bond is allowed.
        • 4+: 1 bond is necessary (including implicit Hydrogens).
        • 5+: 0 bond is allowed.
        • 6+ or more: not allowed
      • Negative charge: Every added negative charge decreases by one the number of possible bonds. Maximum charge accepted is -3.
    • *Radical: * Every added radical on these atoms decreases by one the number of bonds. Maximum three added radicals are allowed.