1. What is Concentration of Unbound Ligand?

Definition: This calculator determines the concentration of ligands that remain unbound to metal ions in a complexation system.

Purpose: It helps chemists and researchers understand the equilibrium between bound and unbound ligands in metal-ligand complexes.

2. How Does the Calculator Work?

The calculator uses the formula:

Where:

• \( L_{complex} \) — Concentration of unbound ligand (mol/m³)
• \( TCL° \) — Total bound ligand of complex (mol/m³)
• \( n_{factor} \) — Formation factor for complexation
• \( TCM° \) — Total metal concentration of complex (mol/m³)

Explanation: The formula calculates the remaining free ligands by subtracting the ligands bound to metal ions from the total ligand concentration.

3. Importance of Unbound Ligand Calculation

Details: Knowing the unbound ligand concentration is crucial for understanding complexation equilibria, bioavailability of metals, and designing chemical processes.

4. Using the Calculator

Tips: Enter the total bound ligand concentration, formation factor (default 0.5), and total metal concentration. All values must be ≥ 0.

5. Frequently Asked Questions (FAQ)

Q1: What is the formation factor (n_factor)?
A: It's the ratio of total ligand bound to metal ion to the total metal ion concentration.

Q2: What's a typical value for n_factor?
A: It varies but often between 0.5-2 depending on the metal-ligand system and stoichiometry.

Q3: How do I determine TCL° experimentally?
A: Through analytical techniques like spectrophotometry or titration that measure bound ligand concentration.

Q4: What if I get a negative result?
A: Negative values suggest incorrect input parameters as concentrations can't be negative in reality.

Q5: Does this account for multiple complexation steps?
A: This is a simplified model assuming 1:1 stoichiometry. For multiple steps, more complex models are needed.