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Coordination Chemistry Calculator

Coordination Chemistry Calculator MCP Connector for Claude

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Calculate oxidation states, d-electron counts, and CFSE for coordination complexes.

4 tools Official Updated Oct 1, 2026 Official Vinkius Partner
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This MCP server provides specialized tools for analyzing coordination compounds. It allows AI agents to determine the fundamental identity of a complex using calculate_basic_properties, identify electronic configurations via calculate_electron_configuration, and quantify stabilization energy with calculate_cfse. For a complete technical profile, use get_complex_summary to aggregate all properties including oxidation state, coordination number, d-electron count, spin state, and CFSE.

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

calculate_basic_properties

Determines the fundamental identity of the complex (oxidation state and coordination number)

calculate_cfse

Quantifies the Crystal Field Stabilization Energy

calculate_electron_configuration

Calculates the remaining d-electrons and identifies the spin state

get_complex_summary

Provides a human-readable technical profile of the coordination compound

See how to talk to your AI agent using Coordination Chemistry Calculator.

What is the oxidation state and coordination number of a complex with Iron(III) and three cyanide ligands with a net charge of 0?

The oxidation state of Iron is +3 and the coordination number is 6.

Calculate the CFSE for an octahedral complex with 3 d-electrons in a high-spin state where Δ is 20,000 cm⁻¹.

The total CFSE is 6000 cm⁻¹.

Give me a summary for a complex with Cobalt, two ethylenediamine ligands, and a charge of +2 in an octahedral geometry.

The complex has Cobalt as the metal, an oxidation state of +2, a coordination number of 4, a d-electron count of 7, a high-spin state, and a calculated CFSE.

You can calculate the oxidation state, coordination number, d-electron count, spin state, and Crystal Field Stabilization Energy (CFSE) for various coordination complexes.

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