ABC graphs/Rules
AB graph
[edit | edit source]A: Arrange atom symbols (Atoms)
B: Connect symbols with lines (Bonding paths)
ABC graph
[edit | edit source]A: Arrange atom symbols (Atoms)
B: Connect symbols with lines (σ-Bonds)
C:
- Find the most electronegative atoms evaluate its residual charge.
- Calculate the residual charges for the rest of atoms accounting for the total charge value.
ABCD graph
[edit | edit source]- Rules
- A. Arrange Atoms.
- B. Allocate Bonds.
- C. Assign Charges.
- D. Add Dots.
- Hints
- A. Hydrogen as well as more electronegative atoms tend to be terminal or (less commonly) bridging.
- B. Few-member cycles are less favorable than linear arrangements.
- C. Residual charge of terminal H/F/Cl/Br/I is 0 (not written), O/S is −, N is =, C is ≡.
- Residual charge of bridging H/F/Cl/Br/I is +, O/S is 0 (not written), N is −.
- Residual charge of the central atom is found using eq ΣC = q (total charge).
- D. Number of dots equals D = A − B − C, where A is the number of the atoms' bonding electrons and B is the number of bonds around that atom.
- A equals to the last digit of the group numbers.
- Style
- A. Use atom symbols.
- B. Draw bonds with lines.
- C. Write non-zero charges with characters: −, =, ≡, +, ⧺, ᚒ.
- D. Draw dots as pairs or singles.
ABD graph
[edit | edit source]A and B steps the same as for ABC graph.
D: For each atom of interest, find the number of bonding electrons (A), evaluate the oxidation number (O), but do not write it, then calculate D as D = A − O. Draw D dots around the atom in pairs of singles (Hund rule applies).
ABDE and ABCDE graph
[edit | edit source]A–D steps the same as for ABD or ABCD graphs.
E: For each sp-atom of interest, calculate E as E = 4 − B − D· − D: Draw E hyper-ellipses around the atom.
Control
[edit | edit source]Ensure that ΣC = q.
For geometrically similar arrangements prefer one with minimal sum of absolute residual charges Σ|C|. For example, O–O–C vs O–C–O and N–N–O vs N–O–N.
D can not be negative.