573-83-1Relevant articles and documents
Crystal structure, vibrational spectra, optical properties and density functional theory approach of a picrate salt based on substituted triphenylphosphinium
Li, Ting,Gan, Zhi-Hao,Liu, Cai-Hong,Zhou, Jia-Rong,Liu, Xiao-Ping,Yang, Le-Min,Ni, Chun-Lin
, p. 163 - 169 (2019)
A new organic crystal, [BzTPP][PIC](1) ([BzTPP]+ = benzyl triphenylphosphinium, [PIC]- = picrate), has been grown by slow evaporation solution growth technique. Single crystal XRD reveals that it belongs to monoclinic system with P21/c. The two neighboring [BzTPP]+ cations from a dimer through C-H···π interaction while anions stack into a columnar structure through N?O, O?O and π···π interaction. The anions and cations form a column structure alternately in ···AC-AC-AC-AC··· sequence through C-H?O hydrogen bonds. The experimental vibrational bands (IR and Raman) have been discussed and assigned based on DFT calculations. The HOMO-LUMO energy gap explains the charge transfer interactions in the molecule. The thermal stability of the hybrid crystal was analyzed by TG-TDA-MS technique and revealed that the title crystal was stable up to 290 °C. The fluorescence spectra reveal three main emission peaks at 295, 388 and 543 nm upon excitation at 250 nm in solid state at room temperature. The energy of weak interactions in the molecule and nonlinear optical properties were studies using DFT calculations.
Tuning the intramolecular charge transfer (ICT) process in push-pull systems: Effect of nitro groups
Panja, Sumit Kumar,Dwivedi, Nidhi,Saha, Satyen
, p. 105786 - 105794 (2016/11/18)
The intramolecular charge transfer (ICT) process in donor-acceptor systems has tremendous importance in various physical and biological systems. Three nitrophenolate salts were synthesized and studied here. The ICT and π → π? transition processes were identified in these derivatives using UV-Vis spectroscopy and theoretical calculations. It was observed that by simple substitution with nitro groups, one can generate and control the ICT process by regulating the charge distribution over the molecule. While for a monosubstitute nitro derivative, only one ICT band was observed, additional ICT processes can be generated at will by introducing a second nitro group. The intensity of this second ICT channel can be regulated with introduction of a third nitro group. Further, the association constants and solvation processes for these potassium nitrophenolate derivatives were found to be drastically dependent on the number of ICT channels present in the molecule. Theoretical studies (MEP analysis) support the experimental observations presented here. The results show that by simply introducing additional acceptor groups to the system, one can tune the ICT band efficiently in a conjugate system.
Self-assembled ionophores
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, (2008/06/13)
Ionophores having the capacity spontaneously assemble in solution and composed of hydrogen bonded monomers of 5′-(t-butyl-dimethylsilyl)-2′,3′-O-isopropylidene-isoguanosine, 5′-(t-butyl-dimethylsilyl)-2′,3′-O-isopropylidene-thio-isoguanosine or 2′,3′-Di-O-acetyl-5′-(t-butyl-dimethylsilyl)-isoguanosine are used to remove 137-cesium ions (137Cs+) from nuclear waste.
