Spin Properties and Electronic Structure in Organic Ternary Crystals

Abstract

In this work, the effects of the competition between donor 1 −acceptor (D 1 −A) and D 2 −A charge transfer interactions on the band structure, electronic states, and spin properties are studied in the ternary crystals D 1 −D 2 −A. Combining experimental data with theoretical calculations, it is observed that the band structure of D 1 −D 2 −A ternary crystals is not a superposition of the D 1 −A and D 2 −A binary crystal. Through changing the frequency of the incident light on ternary crystals, the dominated interaction will switch from D 1 −A to D 2 −A charge transfer interaction.Furthermore, under the stimuli of external magnetic field, D X −A with weaker charge transfer interaction shows a better tunability of the related macroscopic properties. Therefore, we believe that our results will be useful for introducing novel properties into ternary crystals by rationally designing the structure.

Targeting Ultrafast Spectroscopic Insights into Red Fluorescent Proteins

“…Future engineering efforts will concentrate on making monomeric FPs, ensuing a fast chromophore maturation, reducing their blinking or bleaching, and increasing their brightness or color contrast upon photoswitching or photoconversion. For example, new properties/mechanisms of RFPs have recently emerged for LEA, [24f,h] mKeima, [8b,60d] and aY‐sfGFP [1h,106a] (see above). Other interesting RFPs that can motivate future ultrafast spectroscopic studies include a dark‐to‐red FP called KFP1 (Ex./Em.…”

“…The large redshift was attributed to H‐bonding rearrangement near chromophores of extended conjugation [106a] or the formation of an RFP‐like chromophore (e. g., DsRed with a conjugated acylimine) [106b] . Recently, ground‐state FSRS was employed to elucidate the chromophore structure of aY‐sfGFP [1h] . By systematic spectral comparisons to model chromophores and a conventional RFP with an acylimine‐containing chromophore, an RFP‐like chromophore was shown to be absent in aY‐sfGFP due to the lack of RFP signature bands.…”

“…Shortcomings from low brightness to relatively blue emission still pose hurdles, which motivate protein engineering efforts [3c,10c] . For example, aY‐sfGFP suffers from a low FQY (0.037) vs. bright sfGFP, and a strategic E222H mutation boosted its FQY to 0.425 with knowledge of an interplay between nonradiative decay and environmental flexibility of the chromophore [1h] . In fact, the 3‐amino‐tyrosine represents an ideal NCAA for chromophore due to its capability in red‐shifting spectra and its small size that does not detrimentally affect other properties of template FPs (e. g., folding, maturation).…”

Spin in Organic Cocrystals

“…The strong e-p coupling allows electrons to be trapped by lattice vibrations, and the captured charge can then influence spin polarization through a spin-lattice interaction. [45] Qin et al modified the lattice configuration and phonon dependence of spin polarization by adding the third component into binary CTCs. [46] A dimerization between neighbor D and A groups was generated to induce a lattice symmetry breaking.…”

“…Recently, it has been reported that e‐p coupling plays a crucial role in the functioning of organic ferromagnetism. The strong e‐p coupling allows electrons to be trapped by lattice vibrations, and the captured charge can then influence spin polarization through a spin‐lattice interaction [45] . Qin et al.…”