Pentaphosphaferrocenes [CpR Fe(η5 -P5 )] (1) and CuI halides are excellent building blocks for the formation of discrete supramolecules. Herein, we demonstrate the potential of Cu(CF3 SO3 ) for the construction of the novel 2D polymer [{Cp*Fe(μ4 ,η5:1:1:1 -P5 )}{Cu(CF3 SO3 )}]n (2) and the unprecedented nanosphere (CH2 Cl2 )1.4 @[{CpBn Fe(η5 -P5 )}12 {Cu(CF3 SO3 )}19.6 ] (3). The supramolecule ...

An electron-transporting counter-anion, OXD-7-SO3-, was developed for a blue-green-emitting cationic iridium complex, which showed superior device performance in solution-processed phosphorescent light-emitting diodes over its counterpart complex with a PF6- counter-anion, due to the facilitated electron-injection/transport and more balanced carrier recombination imparted by OXD-7-SO3-.

The sulfation reaction between myristyl alcohol and the SO3-DMF complex has been successfully carried out to produce sodium sulfate. Formation of by reacting DMF SO3 gas obtained from phosphorus pentaoxide H2SO4. variables studied were time formation complex, temperature concentration NaOH at neutralization. results with tested FTIR spectroscopic analysis, surface tension test, foam stability t...

The potential energy surfaces (PES) for the SO3:H2CO and (SO3)2:H2CO complexes were thoroughly examined at the MP2/aug-cc-pVDZ computational level. Heterodimers and trimers are held together primarily by SO chalcogen bonds, supplemented by weaker CHO and/or OC bonds. The nature of the interactions is probed by a variety of means, including electrostatic potentials, AIM, NBO, energy decompositio...

Ab initio potential energy and dipole moment surfaces are computed for sulfur trioxide (SO3) at the CCSD(T)-F12b level of theory and appropriate triple-zeta basis sets. These surfaces are fitted and used, with a slight correction for the equilibrium S–O distance, to compute pure rotational and rotation-vibraton spectra of SO3 using the variational nuclear motion program TROVE. The calculations ...

A new mitochondria-targeted fluorescent probe HCy-D, constructed by dansyl and hemicyanine fluorophores, for SO2 derivatives (HSO3(-)/SO3(2-)) was presented. This probe was designed based on a new FRET platform. HCy-D showed a ratiometric, sensitive and rapid response to HSO3(-)/SO3(2-). Importantly, HCy-D was successfully used for fluorescence imaging of endogenous bisulfite in HepG2 cells, wh...

Sulphur trioxide (SO3) is a trace species in the atmospheres of the Earth and Venus, as well as being an industrial product and an environmental pollutant. A variational line list for SO3, named UYT2, is presented containing 21 billion vibration–rotation transitions. UYT2 can be used to model infrared spectra of SO3 at wavelengths longwards of 2 μm (ν < 5000 cm−1) for temperatures up to 800 K. ...

A direct approach for producing methanol from methane in a three-step, liquid phase process is reported. In the first step, methane is reacted with SO3 to form methanesulfonic acid (MSA) at 75 8C using a free-radical initiator and MSA as the solvent. Urea-H2O2 in combination with RhCl3 is found to be the most effective initiator (57% conversion of SO3; 7.2% conversion of CH4). MSA is then oxidi...

The work presented in this thesis concerns the production of high-temperature spectroscopic line lists for the SO2 and SO3 molecules, for the purposes of astrophysical, terrestrial and industrial applications. Both line lists are computed using ab initio computational methods to calculate rovibrational energy levels and dipole moment transition intensities. The hot SO2 line list is computed usi...