Inorganic Chemistry · Part 2 of 9

Stereochemistry & Isomer Counting

Coordination Chemistry, Part 2 · 6 sections · about 8,180 words · CSIR-NET Chemical Sciences, GATE Chemistry & IIT-JAM

Part 1 described which atoms are bonded to which. This part describes how those bonds are arranged in space — and why that arrangement can be the difference between a cancer drug and an inactive compound. It covers cis/trans and fac/mer geometrical isomerism, a systematic method for counting isomers that works every time, chirality at a metal centre and the Λ/Δ convention, the finer layer of chelate-ring conformation, how enantiomers are resolved and how that resolution is lost again, and the laboratory methods that tell one isomer from another. Two layers on every section: a slow, hand-held beginner path and a research-grade advanced/reference path.

The 6 sections in Part 2

  • 1Geometrical isomerism — cis/trans and fac/mer Free below
  • 2Counting isomers systematically
  • 3Chirality at a metal centre — Λ and Δ
  • 4Conformational isomerism of chelate rings
  • 5Resolution and racemisation
  • 6Telling the isomers apart in the laboratory

Geometrical isomerism — cis/trans and fac/mer

Free extract

Section D.1 of Part 2, reproduced in full from the book — figures and all. No sign-in, no paywall on this section.

Beginner layer

Which positions are next to each other and which are opposite — and the two naming systems that describe it.

Two ligands on a metal are either adjacent or opposite. That single distinction generates most of the geometrical isomerism in the subject.

cis: the two named ligands are adjacent — 90° apart in an octahedron or a square plane.
trans: the two named ligands are opposite — 180° apart.

Square planar MA₂B₂

The simplest case, and the one that produced cisplatin. Four positions in a plane; two ligands of each kind. Either the two B ligands sit next to each other, or across from each other. Two isomers, no more.

cis-MA₂B₂PtClNH₃ClNH₃
cis: the two chlorides are adjacent, 90° apart. This is cisplatin. Schematic — the four donor atoms are coplanar with platinum.
trans-MA₂B₂PtClClNH₃NH₃
trans: the two chlorides are opposite, 180° apart. This is transplatin, which is not an effective anticancer drug.
Note: Tetrahedral MA₂B₂ shows no geometrical isomerism at all. In a tetrahedron every pair of positions is equivalent — all the angles are 109.5° and there is no ‘opposite’. So the existence of two isomers of [Pt(NH₃)₂Cl₂] is itself evidence that the geometry is square planar, not tetrahedral. This is exactly Werner’s isomer-counting argument from Part 1, applied to coordination number four.

Octahedral MA₄B₂

Six positions. Put four of one ligand and two of another. The two B ligands are again either adjacent or opposite. Two isomers. This is the case Werner used to establish the octahedron.

trans-MA₄B₂CoClClNH₃NH₃NH₃NH₃
trans-[Co(NH₃)₄Cl₂]⁺, the green praseo salt: the two chlorides occupy the two axial positions, 180° apart. Note this isomer has a centre of symmetry — which is why it is achiral and, as D.6 shows, why its infrared spectrum is simpler.
cis-MA₄B₂CoClNH₃ClNH₃NH₃NH₃
cis-[Co(NH₃)₄Cl₂]⁺, the violet violeo salt: the two chlorides are 90° apart. No centre of symmetry.

Octahedral MA₃B₃ — fac and mer

Three of each ligand needs different words, because “adjacent” and “opposite” no longer describe the situation. Again there are exactly two arrangements.

fac (facial): the three identical ligands occupy one triangular face of the octahedron. Every pair among them is mutually cis (90°).
mer (meridional): the three lie on a meridian — a great circle passing through both poles. Two of them are mutually trans; the third is cis to both.

The quickest test on paper: are any two of the three identical ligands opposite each other? If no, it is fac. If yes, it is mer.

fac-MA₃B₃CoClNH₃ClNH₃ClNH₃
fac: the three chlorides cap one face — no two of them are trans. Schematic. In this drawing the trans pairs are top–bottom, upper-left–lower-right and lower-left–upper-right; the three chlorides avoid all three pairings, which is what makes the arrangement facial.
mer-MA₃B₃CoClClClNH₃NH₃NH₃
mer: two chlorides occupy a trans pair and the third is cis to both, so all three lie on one meridian.

⚠ Common mistakes & exam traps

  • cis/trans is meaningless for tetrahedral complexes. If a question offers cis and trans options for a tetrahedral species, both are wrong.
  • MA₅B has no isomers. All six octahedral positions are equivalent until you place a second different ligand, so a single substitution can only give one compound. Likewise MA₆.
  • cis” must say cis to what. In a complex with three different ligand types, stating “the cis isomer” without naming the pair is ambiguous.
  • fac/mer applies to MA₃B₃, not to MA₄B₂. Using the wrong pair of terms is a giveaway that the geometry has not been drawn out.
  • Do not assume the trans isomer is the more stable. Both isomers of [Pt(NH₃)₂Cl₂] are isolable solids and neither converts spontaneously into the other at room temperature. Which one a synthesis delivers is decided kinetically, by the trans effect (Part 8), not by any general thermodynamic preference. And chelating ligands can make cis the only possibility — a bidentate ligand with a normal bite angle simply cannot span two trans positions.

Explain why [Co(en)₂Cl₂]⁺ exists as cis and trans isomers, but [Co(en)₃]³⁺ does not show geometrical isomerism. Medium

Count the donor atoms. Ethylenediamine is bidentate, so [Co(en)₂Cl₂]⁺ has 2 × 2 + 2 = 6 donors, and so does [Co(en)₃]³⁺ (3 × 2). Both are octahedral.
[Co(en)₂Cl₂]⁺. The two chlorides can be adjacent or opposite, so cis and trans both exist. Each en spans a pair of cis positions in both cases — en cannot reach across a trans pair.
[Co(en)₃]³⁺. There is only one kind of ligand, and each of the three chelates is forced to span a cis pair. Every arrangement is the same as every other; there is no adjacent-versus-opposite choice left to make.
But it is not isomer-free. [Co(en)₃]³⁺ has no geometrical isomers, yet it is chiral and exists as a pair of optical isomers, Λ and Δ. That is D.3.
Advanced / reference layer

Bite-angle limits on which isomers can exist at all, and the trans-spanning ligands that break the usual rules.

The statement “a bidentate ligand cannot span two trans positions” is the single most useful shortcut in isomer counting, and it deserves to be stated precisely rather than as a slogan. A normal five- or six-membered chelate ring holds its of roughly 75–95° — close to 90° for diamines such as en, and as low as about 78° for rigid five-membered chelates such as 2,2′-bipyridine. That fits a cis pair (90°) and comes nowhere near a trans pair (180°). The limit is geometric, not electronic.

It is a strong rule, not an absolute one. Ligands with long, rigid backbones designed specifically for the purpose — so-called trans-spanning ligands, typically diphosphines with a large bite angle — can bridge two trans positions. They are laboratory constructions rather than syllabus examples, but their existence is the reason the rule should be quoted as “an ordinary chelate cannot span trans”.

Why does chelation force cis geometry in cisplatin analogues?

This has a real therapeutic consequence. Because a chelate can only occupy cis positions, building one into a cisplatin analogue locks the complex in the cis configuration. The two clinical successors do it at opposite ends of the molecule, which is worth getting right because the two are routinely conflated. Carboplatin keeps cisplatin’s two monodentate ammine ligands and replaces the two chlorides with a single bidentate cyclobutane-1,1-dicarboxylate — so its chelate is the leaving group, and it also slows the aquation step. Oxaliplatin does the opposite: it replaces the two ammines with the bidentate diamine (1R,2R)-cyclohexane-1,2-diamine and uses bidentate oxalate as the leaving group, so both ends are chelates.

Med
How many geometrical isomers does square-planar [Pt(NH₃)(py)ClBr] have? Draw the relationship between them.
Show solution
This is square-planar MABCD — four different ligands. Fix any one ligand, say NH₃. Each of the other three can occupy the position trans to it, and once that choice is made the remaining two ligands fill the two positions cis to NH₃. Their two possible assignments are related by a 180° rotation about the NH₃–X axis — a proper rotation, so it is the same molecule, not a new isomer. (This is not an argument about mirror planes; it would hold even if the complex were chiral.) So the number of isomers equals the number of choices of the ligand trans to NH₃: three. They are named by which pair is trans: (Cl trans to NH₃), (Br trans to NH₃), (py trans to NH₃). All three are diastereomers; none is chiral, because the molecular plane is a mirror plane.
Med
[Co(NH₃)₃(NO₂)₃] exists in two forms. One shows two ¹H NMR environments for the ammonia protons in a 2:1 ratio; the other shows one. Assign them.
Show solution
This is octahedral MA₃B₃, so the two forms are fac and mer. In the fac isomer the three ammonias cap one face and are all equivalent by the three-fold axis — one environment. In the mer isomer two ammonias are trans to each other and the third is trans to a nitro group, so there are two environments in a 2:1 ratio. So the 2:1 spectrum is mer and the single-line spectrum is fac. This symmetry-counting argument is the standard NMR method and is developed in D.6.

Read the rest of Part 2

The remaining 5 sections of this part — Counting isomers systematically, Chirality at a metal centre — Λ and Δ, Conformational isomerism of chelate rings, Resolution and racemisation — and all nine parts of Coordination Chemistry are part of ChemVidya Full Access, along with the other books, 55 Study Notes and 6,000+ practice questions.

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