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Iodine pentafluoride Lewis Structure

Iodine pentafluoride Lewis structure (F5I). I–F single bond, I–F single bond, I–F single bond. It shows a square pyramidal shape, sp3d2 hybridization on I, 90° bond angles. Count 42 valence electrons and a octahedral electron-domain arrangement. Wallace3 MIN READSeptember 30, 2026

Iodine pentafluoride Lewis Structure: F5I Lewis Structure, square pyramidal Geometry, sp3d2 Hybridization & Polarity

Iodine pentafluoride Lewis structure Cover

Iodine pentafluoride Key Facts

The Iodine pentafluoride Lewis structure is I–F single bond, I–F single bond, I–F single bond, I–F single bond and I–F single bond; the central I has 6 electron domains (1 lone pair), giving a octahedral electron-domain arrangement and a square pyramidal molecular geometry with a 90° bond angle. I is best described as sp3d2-hybridized, and Iodine pentafluoride is polar because the square pyramidal shape (and/or unequal terminal atoms) prevents cancellation of the bond dipoles.

Iodine pentafluoride Lewis Structure Figure 1: Lewis Structure of Iodine pentafluoride (F5I)
Chemical Formula F5I
CAS Number 7783-66-6
Total Valence Electrons 42
Lewis Structure I–F single bond, I–F single bond, I–F single bond, I–F single bond and I–F single bond
Electron-Domain Geometry octahedral
Molecular Geometry square pyramidal
Hybridization Model sp3d2 (central I)
Bond Angle 90°
Polarity Polar molecule
PubChem (CID 522683) and NIST list Iodine pentafluoride as F 5I with CAS 7783-66-6; molecular weight ≈ 221.8965 g/mol. View CAS 7783-66-6 dictionary details on Guidechem →

Applications of Iodine pentafluoride (CAS 7783-66-6)

Interhalogen fluorides such as Iodine pentafluoride are exceptionally vigorous fluorinating and oxidizing agents. They are employed in uranium processing, in the fluorination of metals, ceramics and polymers, and as rocket oxidizers. Their reactivity with water and organics is extreme, so they are handled only in passivated, dry systems.

Fluorinating Agent Converts metals and refractory materials to volatile fluorides for separation and processing.
Oxidizer High-energy oxidizer role in specialized propulsion and synthesis.
Handling Extreme moisture/organics sensitivity; strictly anhydrous, passivated equipment.
Procurement Note "Iodine pentafluoride" is supplied in multiple commercial grades and package sizes. Specify purity, grade, moisture/impurity limits, package (cylinder, drum or bulk) and intended process, and use CAS 7783-66-6 as the primary identifier when screening suppliers; always confirm regional availability and safety documentation (SDS).

Step 1 - Valence Electrons & Central Atom

To draw the Iodine pentafluoride Lewis structure we first count the total valence electrons. F5I contains 5×7 (F) + 7 (I); the net charge of 0 gives a total of 42 valence electrons to place.

The central atom is I. It is the least electronegative atom capable of forming multiple bonds and is surrounded by the more electronegative terminal atom(s); hydrogen, when present, always occupies a terminal position. Electronegativity considerations place the electron density toward the terminal atom(s).

Valence-electron count

Total valence electrons = 5×7 (F) + 7 (I) = 42 electrons.

Step 2 - Lewis Structure & Electron Distribution

Place I at the center and connect each surrounding atom with a single bond, complete octets on the terminal atoms, and place any remaining electrons on the central atom. The resulting electron distribution is: I–F single bond, I–F single bond, I–F single bond, I–F single bond and I–F single bond; one lone pair on I.

Counting bonding and nonbonding electrons around I therefore satisfies the octet/expanded-octet requirement for the drawn structure.

I–F I–F I–F I–F I–F
I: 1 lone pair, 5 bonding domains
5 bonding domains + 1 lone pairs = 6 electron domains
Expanded Octet: d-Orbital Participation Central I belongs to period 3 or below, so it can accommodate more than eight electrons: low-lying d orbitals become available and the square pyramidal arrangement with 6 domains reflects this expanded valence shell. The octet rule alone does not apply to such hypervalent species.

Step 3 - VSEPR Theory & Geometry

VSEPR theory states that the 6 electron domains around I arrange to minimize mutual repulsion, giving an octahedral electron-domain geometry.

Because 1 of these domains are lone pair(s) — and lone pairs repel more strongly than bonding pairs — the observed molecular geometry is square pyramidal; the I bond angle is set to 90° rather than the ideal value for the electron-domain geometry.

Repulsion hierarchy

A useful VSEPR approximation is: lone pair–lone pair repulsion > lone pair–bonding pair repulsion > bonding pair–bonding pair repulsion. With 1 lone pair(s) on I, the lone-pair domains occupy positions that minimize overall repulsion while pushing the bonding domains (and therefore the bonded atoms) closer together.

Hybridization & Formal Charge

In the conventional localized-bond model, I uses sp3d2 hybrid orbitals to form the 6 equivalent electron-domain directions (5 bonding + 1 lone pair).

Formal-charge check

Formal charge on central I = V − N − ½B = 7 − 2 − ½×10 = 0. The preferred Lewis structure carries zero formal charge on the central atom (and on the terminals), so it is the dominant contributor.

Modeling Note Modeling Note: sp3d2 / sp3d2 hybridization is a convenient localized-bond teaching model. Modern quantum-chemical descriptions of hypervalent Iodine pentafluoride use molecular orbitals and do not require populated d orbitals as the primary bonding picture.

Is Iodine pentafluoride Polar or Nonpolar?

Iodine pentafluoride is polar. The square pyramidal shape prevents cancellation of the bond dipoles. The bond dipoles do not cancel, leaving a net molecular dipole, which strongly influences solvation behavior and intermolecular interactions.

Expert Quote — Structural Chemistry Perspective

The decisive structural fact is not simply that the individual bonds are polar; it is whether molecular symmetry allows their vector sum to vanish. In Iodine pentafluoride the square pyramidal arrangement prevents cancellation, so a permanent dipole remains.

Interpretation consistent with standard VSEPR / molecular-geometry references.

This polarity profile underpins its behavior as a solvent, reactant or process intermediate; when sourcing, specify grade and container compatibility.

Structural Comparison Table

Species Formula Central Atom Electron Domains Molecular Geometry Polarity
Iodine pentafluoride F5I I 6 square pyramidal Polar
Iodine trifluoride IF3 I 5 T-shaped Polar
Iodine heptafluoride IF7 I 7 pentagonal bipyramidal Nonpolar
Iodine I2 I 4 linear (diatomic) Nonpolar
Hydrogen iodide HI I 4 linear (diatomic) Polar
Practice question Starting from the 42 valence electrons of F5I, draw the Lewis structure and confirm the central I atom is sp3d2-hybridized with square pyramidal geometry. What happens to the bond angle if one terminal atom is replaced by a more electronegative substituent?
Looking for industrial bulk or specified-grade supplies of Iodine pentafluoride (CAS 7783-66-6)? Browse Supplier on Guidechem →

FAQs

Is F5I polar or nonpolar?

Iodine pentafluoride is polar. Its square pyramidal geometry (and/or unequal terminal atoms) stops the bond dipoles from cancelling.

What is the Lewis structure of Iodine pentafluoride?

I–F single bond, I–F single bond, I–F single bond, I–F single bond and I–F single bond; one lone pair on I. It uses all 42 valence electrons and the preferred structure carries zero formal charge on the central atom.

What is the bond angle in Iodine pentafluoride?

The I angle is about 90°. Lone-pair repulsion compresses the angle from the ideal octahedral value.

What is the hybridization of I in Iodine pentafluoride?

The conventional model is sp3d2. Iodine pentafluoride has 6 electron domains around the central I.

What is the CAS number of Iodine pentafluoride?

The CAS number is 7783-66-6. PubChem (CID 522683) and NIST identify this with F5I; use it to locate suppliers and database records.

References

  1. PubChem CID 522683, Iodine pentafluoride. Molecular formula, CAS number, molecular weight and chemical identity.
  2. NIST Chemistry WebBook, SRD 69, Iodine pentafluoride. Formula, CAS Registry Number and thermochemical / spectroscopic data.
  3. IUPAC Gold Book. Definitions for "lone pair", "VSEPR", "hybridization" and "formal charge".
  4. Atkins, P. & de Paula, J., Physical Chemistry. VSEPR, molecular geometry and dipole moments.
  5. Guidechem supplier & dictionary records. Commercial sourcing and CAS-linked property pages for Iodine pentafluoride (CAS 7783-66-6).

Technical scope: Lewis structures, VSEPR and hybridization are model-based descriptions for chemical communication and structure prediction; actual molecular electronic structure is more accurately represented by molecular-orbital and quantum-chemical methods. Commercial grades vary substantially by supplier and intended use; CAS 7783-66-6 identifies the substance, not a universal purity specification.

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