115876-75-0Relevant academic research and scientific papers
6MNEP: A molecular cation with large hyperpolarizability and promise for nonlinear optical applications
Bloxham, Joseph C.,Brock, Daniel J.,Jackson, Erika W.,Johnson, Jeremy A.,Kenney, Karissa C.,Michaelis, David J.,Smith, Stacey J.,Valdivia-Berroeta, Gabriel A.,Wayment, Adam X.
, p. 11079 - 11087 (2020)
Molecular organic crystals are strategically designed for nonlinear optical applications using push-pull chromophores as the core feature. In this approach, electron-donating and accepting groups are connected through a π-conjugated bridge to obtain planar molecules with high hyperpolarizability. However, the non-centrosymmetric packing that is required for nonlinear optical (NLO) applications is a critical challenge that must be addressed to design useful materials. In this article, we present the new organic cation 6MNEP that shows a large hyperpolarizability and can be crystallized in ideal non-centrosymmetric structures for NLO applications, when paired with T and 4NBS anions. The 6MNEP cation was obtained by extending the conjugation length of already existing chromophores. We compare the 6MNEP crystals with other crystals that also have cations with extended conjugation lengths, but result in centrosymmetric crystal structures. Using the effective hyperpolarizability, we found 6MNEP-T and 6MNEP-4NBS to have 1.6 to 2.5 times larger macroscopic nonlinearities than benchmark NLO organic crystals. Additionally, the significantly lower absorption wavelength compared with other state-of-the-art crystals make 6MNEP-T and 6MNEP-4NBS promising materials for NLO applications like intense terahertz generation.
Isotope Effects in the Solvolysis of Sterically Hindered Arenesulfonyl Chlorides
Iazykov, Mykyta,Canle L., Moisés,Santaballa, J. Arturo,Rublova, Ludmila
, p. 744 - 750 (2015/10/06)
Solvent isotope effects in the ethanolysis of sterically hindered arenesulfonyl chlorides ruled out a proton transfer in the rate-determining step and agreed with a SN2 mechanism involving at least a second solvent molecule in the transition state (TS). The lack of a secondary kinetic isotope effect in the o-alkyl groups allows us to disregard the possible contribution of σ-π hyperconjugation. The measured activation parameters are consistent with a SN2 mechanism involving the participation of solvent molecules in the TS, possibly forming a cyclic TS through a chain of solvent molecules.
Selective Sulfonylating Agents
Guthrie, R. D. (Gus),Thang, San
, p. 2133 - 2136 (2007/10/02)
A variety of bulky sulfonyl chlorides have been investigated as sulfonylating reagents for polyol systems in an endeavour to find a selective reagent that would also give rise to a reactive sulfonate ester group.
