The catenation of a singlet diradical dication and modulation of diradical character by metal coordination.
Ke LiZhongtao FengHuapeng RuanQuanchun SunYue ZhaoXinping WangPublished in: Chemical communications (Cambridge, England) (2022)
A singlet bis(triarylamine) diradical dication and its zigzag 1D magnetic chain catenated by silver cations were isolated and characterized by single-crystal X-ray crystallography, EPR spectroscopy, SQUID measurements, cyclic voltammetry, and UV-Vis-NIR absorption spectroscopy in conjunction with DFT calculations. The Δ E OS-T has significantly changed due to the coordination of carbonyls (Lewis base) with Ag + (Lewis acid), revealing that the diradical character can be modulated by Lewis acid-base coordination and interchain intermolecular coupling interactions.
Keyphrases
- high resolution
- density functional theory
- single molecule
- solid state
- ionic liquid
- energy transfer
- gold nanoparticles
- molecular dynamics
- photodynamic therapy
- quantum dots
- molecular dynamics simulations
- room temperature
- molecularly imprinted
- magnetic resonance imaging
- computed tomography
- drug release
- monte carlo
- visible light
- electron transfer