Single crystal growth and crystal structure of HgTeO2FOH—a layered fluorohydroxooxotellurate(IV) stabilized by weak F⋯OH interactions

HgTeO2F(OH): A Nonlinear Optical Oxyfluoride Constructed of Active [TeO2F(OH)]2– Pyramids and V-Shaped [HgO2]2– Groups

“…Furthermore, [HgTeO 3 F­(OH)] units share apical O atoms along the c -axis to construct adjacent [HgTeO 2 F­(OH)] ∞ chains that are further arranged along the a - and b -axes and form the two-dimensional (2D) framework of HgTeO 2 F­(OH) via weak F···OH hydrogen bonds (Figure d). The distance of the F···OH hydrogen bonds between the layers is 2.829 Å, which explains the poor monocrystalline behavior and easy cleavage of the crystals and favors the relatively high thermal stability …”

“…On the other hand, the [HgTeO 2 F­(OH)] ∞ chain is also salutary for the enhancement of band gap . The IR spectrum was analyzed in detail in previous literature …”

“…Light yellow stick crystals were obtained after washing with deionized water, and the yield of HgTeO 2 F­(OH) is up to 85% based on TeO 2 . This compound can be stable to about 573 K according to the literature …”

“…23 On the basis of the above considerations, we focused on introducing a Te 4+ lone-pair cation to oxyhalides and attempted to obtain promising NLO materials. Here, a Te 4+based oxyfluoride HgTeO 2 F(OH) was obtained, which was first synthesized by Weil in 2005; 24 however, its NLO property has never been studied. In this work, we synthesized light yellow HgTeO 2 F(OH) crystals by a hydrothermal synthesis and studied its NLO effects for the first time.…”

“…This compound can be stable to about 573 K according to the literature. 24 Single-Crystal X-ray Diffraction. Single-crystal X-ray diffraction (SXRD) was carried out, and the crystal structure of HgTeO 2 F(OH) was ascertained by a Bruker D8 QUEST X-ray diffractometer with Mo Kα radiation (λ = 0.71073 Å).…”