Push-pull 1,4-dithiafulvenes: a combined experimental and theoretical study

Abstract

Novel push-pull 6,6-disubstituted 1,4-dithiafulvenes have been synthesized and their electrochemical and spectral properties were recorded. The proaromaticity of the donor end of these alkenes lies at the origin of their strong dipolar character, confirmed by DFT calculations, and their second-order NLO properties.

Synthesis, Structure, and Optical Properties of 1,4-Dithiafulvene-Based Nonlinear Optic-phores

“…0.11 Å, point to a high degree of pushpull character for compound 9. It is also noteworthy that previous theoretical calculations on this compound predicted 21 that the less polar (µ ) 6.09 D) s-cis conformation is slightly more stable (by ca. 1 kcal/mol) than the s-trans conformation in the gas phase.…”

“…Crystal Structure of 9. Compound 9 , recently reported by us, can be considered the simplest derivative of the dithiafulvene-based family 3a − c . Single crystals of 9 were grown from CDCl 3 solution, and X-ray analysis shows that the molecule is completely planar, except for the phenyl ring which is orthogonal to the dithiolylidenetricyanopropene moiety, which is exactly on the mirror plane of the P 21/ m space group in the crystallographic structure.…”

Synthesis of gold nanoparticles using electron-donating dithiafulvene units

“…DTF are able to interact with ions, metal surfaces, metal carbonyl fragments, 12 and they could also reduce metal ions according to the redox potential reported. 13 Andreu et al 14 Thus, they could be used on the reduction of AuCl 4…”