MCP For Claude Marketplace
Crystal Field Theory Calculator

Crystal Field Theory Calculator MCP Connector for Claude

A+

Calculate electronic configurations, CFSE, magnetic moments, and color predictions for transition metal complexes.

4 tools Official Updated Oct 1, 2026 Official Vinkius Partner
More Details Connect to Claude

This MCP server provides a suite of computational tools for analyzing transition metal complexes using Crystal Field Theory (CFT). It allows AI agents to determine the electronic structure, stability, and physical properties of coordination compounds. By using calculate_electronic_structure, agents can identify spin states and orbital occupancy. Subsequent tools like calculate_stabilization_energy and calculate_magnetic_properties provide deep insights into the thermodynamic stability and magnetic behavior of the complex, while predict_optical_properties estimates the observed color based on d-to-d electronic transitions.

chemistryphysicstransition-metalsspectroscopymolecular-modeling

4 tools expose this connector's capabilities to your AI agent.

calculate_electronic_structure

Determines the orbital splitting pattern and the resulting electronic configuration (spin state and occupancy)

calculate_magnetic_properties

Determines the magnetic behavior and magnitude of the complex

calculate_stabilization_energy

Calculates the net stability gain provided by the specific electron arrangement

predict_optical_properties

Predicts the color of the complex based on light absorption

See how to talk to your AI agent using Crystal Field Theory Calculator.

What is the electronic structure of an Fe3+ ion in an octahedral field with a splitting energy of 20000?

The Fe3+ ion in an octahedral field with a splitting energy of 20000 results in a high-spin configuration with 5 unpaired electrons.

Calculate the magnetic properties for a low-spin d6 octahedral complex.

A low-spin d6 octahedral complex has 0 unpaired electrons and is diamagnetic.

What color would a complex be if it absorbs light at 520 nm?

A complex that absorbs light at 520 nm (green) will appear red.

You can determine the electronic configuration, spin state, Crystal Field Stabilization Energy (CFSE), magnetic moment, and predicted color of transition metal complexes using `calculate_electronic_structure` and its companion tools.

Related Connectors

Plasmon Resonance Calculator

Plasmon Resonance Calculator MCP

4 tools Official

Calculate surface plasmon resonance wavelength, extinction, and field enhancement for metallic nanoparticles.

A+ View details →
Solid-State Structure Predictor

Solid-State Structure Predictor MCP

4 tools Official

Predict crystal structures, coordination numbers, and unit cell parameters for inorganic solids.

A+ View details →
Hydrogen Atom Wavefunction Calculator

Hydrogen Atom Wavefunction Calculator MCP

4 tools Official

Calculate hydrogen atom wavefunctions, probability densities, and nodal structures.

A+ View details →
Oxidation State Calculator

Oxidation State Calculator MCP

4 tools Official

Determine oxidation states, redox behavior, and chemical nomenclature.

A+ View details →