[Ge₂S₅(S₂)]⁴⁻, A NLO‐Active Unit Leading to an Asymmetric Structure Discovered in Li₂Cs₄Ge₂S₅(S₂)Cl₂: An Experimental and Theoretical study

Abstract

Metal-centered MS 4 tetrahedra are fundamentally important buildingblocks for the structural construction of infrared (IR) nonlinear optical( NLO) mateirals, because they have alarge effect on properties like second-harmonic generation,b irefringence, band gap, etc. Therefore, rational design and selection of these tetrahedra could effectively help synthesize new materials andg ive satisfactory properties. In this work, we reported an ew NLOactive [Ge 2 S 5 (S 2 )] 4À unit composed of two corner-shared GeS 4 tetrahedra with an onpolar covalent SÀSb ond, discovered in an ew compound of Li 2 Cs 4 Ge 2 S 5 (S 2 )Cl 2 .T ot he best of our knowledge,t his [Ge 2 S 5 (S 2 )] 4À unit has never been discovered. [Ge 2 S 5 (S 2 )] 4À units have intrinsic asymmetric features and lead to the whole structure being noncentrosymmetric (NCS). Further,r eal-space atom-cutting methodsr eveal that they make almosta ll the contribution to the second-harmonic generation response (SHG) for Li 2 Cs 4 Ge 2 S 5 (S 2 )Cl 2 .A ll of the above indicatet hat the [Ge 2 S 5 (S 2 )] 4À unit is an ew functional unit and ag ood choice for designing new IR NLO materials.

Wide band gap thiophosphates ASrPS4 (A = Li, Na, K, Rb, Cs): cation size effect induced successive structural transformation

“…Inorganic functional materials 1–5 are progressively significant for the development of modern technology. 6–10 Chalcogenides 11–15 have been widely investigated for the design of functional materials. 16–25 The metal thiophosphate family is a new branch of chalcogenides, which have shown properties such as frequency-conversion, 26,27 optical switch, 28 semiconductor light emitting, 29 and ion migration 30 as infrared optical materials.…”

KHg4Ga3S9: A Hg-Based Sulfide with Nonlinear-Optical Activity in the A–MII–MIII–Q (A = Alkali Metal; MII = d10 Metal; MIII = Ga, In; Q = S, Se) System

“…Energy-dispersive spectroscopy analysis confirms that the elemental types and proportions are consistent with the chemical formula (Figure S4). KHg 4 Ga 3 S 9 crystallizes in the orthorhombic space group C222 1 (Figure 1a), which is rare among IR NLO crystals 40 and is isostructural with RbCd 4 Ga 3 S 9 . 34 In the independent structural unit, there are 2 K, 5 Hg, 3 Ga, and 10 S sites.…”

Investigating the Potential of 8-Amidoquinoline Derivatives as a Fluorescent Probe for Zinc Detection: A Systematic Literature Review

“…Given the advantage of fully water-soluble AQZ-2COOH due to the insertion of carboxyl groups, make it a promising receptor for testing Zn 2+ in aqueous solution [75]. Crystallography result of binding between Zn 2+ and AQZ-2COOH confirmed Zn 2+ formed five-coordinated with three N atoms of pyridine, amide, and amine and another two O atoms of carboxyl groups.…”