Theoretical investigation on cis-trans isomerisation of azaphosphatriptycene- based molecular gear

Jia, ZS; Guan, QP; Wang, HL; Wang, XY

Wang, XY (corresponding author), Xiangtan Univ, Minist Educ, Key Lab Green Organ Synth & Applicat Hunan Prov, Key Lab Environm Friendly Chem & Applicat,Coll Ch, Xiangtan 411105, Hunan, Peoples R China.

SUPRAMOLECULAR CHEMISTRY, 2020; 32 (11): 569

Abstract

The cis-trans isomerization of a metal-centred molecular gear was investigated by density functional theory (DFT). The gear uses Pt(II) as stator, the......

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