Metal–ligand orbital mixing mediates spin–phonon coupling in group VI tetraaryl molecular color centers
Year: 2026
Type: article
Abstract: Understanding the microscopic mechanisms governing spin–phonon coupling in transition metal complexes is essential for the rational design of molecular qubits with long coherence and relaxation times.
Source: Chemical Science
DOI: 10.1039/d6sc06308j
Language: English
Field: Materials Science
Domain: Physical Sciences
Open Access status: diamond
Funders: National Science Foundation, U.S. Department of Energy, Purdue University, Northwestern University, National Energy Research Scientific Computing Center, Office of Science, Quest High Performance Computing, Office of Advanced Cyberinfrastructure, Basic Energy Sciences, Office of the Provost
Awards: G1018711323, G1453181110, Track 4: Advanced CI Coordination Ecosystem: Monitoring and Measurement Services, G2299875479, G2888034965, G3185749182, G3265821332, G3562386289, G3898241218, Track 1: ACCESS Resource Allocations Marketplace and Platform Services (RAMPS), G4010157413, G4230073126, G4263569045, G4478963120, ACO: An Open CI Ecosystem to Advance Scientific Discovery (OpenCI), Track 3: COre National Ecosystem for CyberinfrasTructure (CONECT), G5214277425, G5367127336, G5464919783, G6025207788, G6473820372, G6551648957, G731264315, G829097948, Track 2: Customized Multi-tier Assistance, Training, and Computational Help (MATCH) for End User ACCESS to CI, G8671621397, G878072758
OpenAlex ID: W7225149043