Keywords: decoherence; electronic structure; ligand field theory; magnetic properties; qubit EN decoherence electronic structure ligand field theory magnetic properties qubit 1 1 1 07/05/21 20210702 NES 210702 B Transition metal complexes b have recently gained momentum as electron spin-based quantum bit (qubit) candidates due to their synthetic tunability and long achievable coherence times. The decoherence of magnetic quantum states imposes a limit on the use of these qubits for quantum information technologies, such as quantum computing, sensing, and communication. Decoherence, electronic structure, ligand field theory, magnetic properties, qubit.