TY - GEN AU - Gutiérrez Blanco, María AU - García Algarra, Andrés AU - Guillamón, Eva AU - Fernández-Trujillo Rey, María Jesús AU - Oliva, Mónica AU - García Basallote, Manuel AU - Llusar, Rosa AU - S. Safont, Vicent A4 - Ciencia de los Materiales e Ingeniería Metalúrgica y Química Inorgánica PY - 2024 SN - 1520-510X UR - http://hdl.handle.net/10498/31135 AB - Semihydrogenation of internal alkynes catalyzed by the air-stable imidazolyl amino [Mo3S4Cl3(ImNH2)3]+ cluster selectively affords the (Z)-alkene under soft conditions in excellent yields. Experimental results suggest a sulfur-based mechanism with the... LA - eng PB - AMER CHEMICAL SOC TI - Spin-Crossing in the (Z)‑Selective Alkyne Semihydrogenation Mechanism Catalyzed by Mo3S4 Clusters: A Density Functional Theory Exploration DO - 10.1021/ACS.INORGCHEM.3C03057 ER -