Watanabe, Yuichiro; Washer, Benjamin M.; Zeller, Matthias; Savikhin, Sergei; Slipchenko, Lyudmila V.; Wei, Alexander published the artcile< Copper(I)-pyrazolate complexes as solid-state phosphors: Deep-blue emission through a remote steric effect>, Synthetic Route of 128-09-6, the main research area is copper pyrazolate solid state phosphor deep blue emission; remote steric effect copper pyrazolate rigid excited state geometry.
We describe a novel manifestation of rigidochromic behavior in a series of tetranuclear Cu(I)-pyrazolate (Cu4pz4) macrocycles, with implications for solid-state luminescence at deep-blue wavelengths (<460 nm). The Cu4pz4 emissions are remarkably sensitive to structural effects far from the luminescent core: when 3,5-di-tert-butylpyrazoles are used as bridging ligands, adding a C4 substituent can induce a blue shift of more than 100 nm. X-ray crystal and computational analyses reveal that C4 units influence the conformational behavior of adjacent tert-Bu groups, with a subsequent impact on the global conformation of the Cu4pz4 complex. Emissions are mediated primarily through a cluster-centered triplet (3CC) state; compression of the Cu4 cluster into a nearly close-packed geometry prevents the reorganization of its excited-state structure and preserves the 3CC energy at a high level. The remote steric effect may thus offer alternative strategies toward the design of phosphors with rigid excited-state geometries. Journal of the American Chemical Society published new progress about Cluster compounds, copper Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), SPN (Synthetic Preparation), PROC (Process), PREP (Preparation). 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Synthetic Route of 128-09-6.
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