# Coordination Chemistry Calculator AI Agent Connect

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

## Overview
- **Category:** education
- **Price:** Free
- **Endpoint:** https://edge.vinkius.com/vk_preview_E4DVyML2GdegG86sQI4444RrSkZeh1fgRVI1YD8s/ai-agent-connect
- **Tags:** chemistry, inorganic, metal, ligand, physics

## Description

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.

## Tools

### 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

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

## Prompt Examples

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

**Response:** 
```
The oxidation state of Iron is +3 and the coordination number is 6.
```

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

**Response:** 
```
The total CFSE is 6000 cm⁻¹.
```

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

**Response:** 
```
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.
```

## Frequently Asked Questions

**What can I calculate with this tool?**
You can calculate the oxidation state, coordination number, d-electron count, spin state, and Crystal Field Stabilization Energy (CFSE) for various coordination complexes.

**How do I get a full report of a complex?**
Use the `get_complex_summary` tool to receive a complete technical profile of the coordination compound in one go.

**Does it support different geometries?**
Yes, the tools account for different spatial arrangements like octahedral and tetrahedral geometries to determine splitting and spin states.