Valence

Sketcher: JSME (Bienfait & Ertl) · 3D: GFN2-xTB

Model

VSEPR

Atoms & bonds Labels

Hybrid orbitals & lone pairs Orbital set

Highlight π systems

Charges from

The labels print point charges: one way of dividing the electron density among the atoms, and there are several. Under GFN2-xTB the ESP surface and the dipole come from the full density itself, which a point charge on each nucleus cannot hold — so they are the same whichever charges the labels print, and need not add up from them.

Electrostatic potential Surface opacity

δ− electron-richδ+ electron-poor

Dipole moment

Smooth surface (isosurface) Orbital opacity

Surface level Value

Semiempirical: Alvarez parameters, ICON8 for Si–Cl (s, p and d), Wolfsberg–Helmholz K = 1.75, no self-consistency. Blue and orange are the two orbital phases.

Settings

Appearance

Structure

Spin for the refinement Vibrations Skip PubChem: build locally Snap to point group

Display

Atom size Bond size

Atoms Orbitals

Orbital colours

Background

Representation

Auto-rotate

Tools

Measure

Click 2 atoms for distance, 3 for angle, 4 for dihedral.

Annotations

A text callout on the canvas. Drag to position, type to edit.

Export

Image

2×

Structure

View

How to use Valence

Draw a molecule in the sketcher (left panel)
Click Build 3D model or press Enter
Hover orbitals to see their type (σ, π, lone pair)
Rotate the view by dragging, zoom with scroll
Press R to reset the view
Pick a model along the bottom (VSEPR, Charge Model, Localized, Delocalized): the panel on the right shows that model's controls
Press O to fold the model panel to the right edge, B to fold the sketcher to the left
Load a ready-made molecule from Load an example… above the sketcher, or press 1–9
The settings button (top right) holds the theme, structure options, display, measuring and export
Right-click the molecule to copy it as XYZ, SDF, or PNG

How to cite Valence

How to use Valence