HgBrI: a possible tecton for NLO molecular materials?

Abstract

Mixed mercury(II) halogenides were known from long time as good NLO (non-linear optic) materials. The NLO properties are due to the halogen disposition in the solid state and to the...

HgBr2: an easily growing wide-spectrum birefringent crystal

“…2b . The peak at 187 cm −1 has roots in the vibration of the Hg–Br bond, 51 and no other peaks are found in the range from 4000 to 100 cm −1 .…”

A Hg(i) corrugated sheet assembled by auxiliary dioxole groups and Hg⋯π interactions

“…Both sets of calculations were done with the Crystal17 package, 32 and the basis sets were similar to those used for describing related Hg complexes (see the ESI †). 33 Fig. 4 shows the four models constructed to determine the interaction strength between dimers, the corresponding interaction energies (with and without Grimme's correction), and the bond critical points (BCPs) involving Hg centres.…”