CHIN-HUNG LAI2026-10-162026-10-162002-01-24Pure ID: 15475510Pure UUID: 676ce471-c5d9-4fea-b62f-bacad60fce9110.1021/jp0140015https://www.scopus.com/pages/publications/0037165456https://scholars.csmu.edu.tw/handle/123456789/30219The substituent effects on germanium-phosphorus triple bonds was discussed. The isomerization reactions of singlet XGeP were investigated using B3LYP and CCSD(T) calculations. The analysis showed that electronegative and π-electron-donating substituents (X) stabilized the XGe≡P triply bonded species in a kinetic sense, although germanium was found to be less reluctant to form Ge=P doubly bonded than Ge≡P triply bonded compounds.5enjournal article