Structural Evolution and Optical Property Tunability by Halogen Substitution in [N(CH3 )4 ]MX2 (M = Ga+ , In+ , X = Cl, Br): A Family of Organically Templated Metal Halides

Inorganic Chemistry
Xian LiuJun Zhang

Abstract

Structural transformation in hybrid halides is an attractive way to modulate and improve their optical properties. Following newly reported monovalent-metal-based organic-inorganic chlorides [N(CH3)4]MCl2 (M = Ga+, In+), their bromide analogues [N(CH3)4]MBr2 (M = Ga+, In+) were subsequently synthesized. Impressively, their structure transforms from noncentrosymmetric P4̅21m space group for chlorides to centrosymmetric P42/m space group for bromides. As the halogen changes, the (MBr2)- units are partially rotated along the c-axis, which can be attributed to the difference in the anion radius and H-bond interactions between host networks and guest molecules. In addition, the tunable electronic structure and optical anisotropy in this family are also presented. This work provides a typical example for exploring new asymmetric and symmetric organic-inorganic hybrid halides as appliable photoelectric functional materials.

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