Low band gap EDOT-benzobis(thiadiazole) hybrid polymer characterized on near-IR transmissive single walled carbon nanotube electrodes

An electron donor/acceptor pi-conjugated polymer composed of a bi-EDOT and benzobis(thiadiazole) repeat unit exhibits two reductions with a band gap ranging from approximately 0.5 to 0.8 eV depending on the method of band gap determination.     

Decoding Split and Pool Combinatorial Libraries with Electron-Transfer Dissociation Tandem Mass Spectrometry

Screening of bead-based split and pool combinatorial chemistry libraries is a powerful approach to aid the discovery of new chemical compounds able to interact with, and modulate the activities of, protein targets of interest. Split and pool synthesis provides for large and well diversified chemical libraries, in this case comprised of oligomers generated from a well-defined starting set. At the end of the synthesis, each bead in the library displays many copies of a unique oligomer sequence. Because the sequence of the oligomer is not known at the time of screening, methods for decoding of the sequence of each screening “hit” are essential. Here we describe an electron-transfer dissociation (ETD) based tandem mass spectrometry approach for the decoding of mass-encoded split and pool libraries. We demonstrate that the newly described “chiral oligomers of pentenoic amides (COPAs)” yield non-sequence-specific product ions upon collisional activated dissociation; however, complete sequence information can be obtained with ETD. To aid in the decoding of libraries from MS and MS/MS data, we have incorporated ⁷⁹Br/⁸¹Br isotope “tags” to differentiate N- and C-terminal product ions. In addition, we have created “Hit-Find,” a software program that allows users to generate libraries in silico. The user can then search all possible members of the chemical library for those that fall within a user-defined mass error.      

Dynamics of gas-phase reactions of muonium

Applications of variational transition state theory with semiclassical adiabatic transmission coefficients to the reactions of muonium with H₂, D₂, F₂, and Cl₂ are reviewed. In addition new calculations are presented for the Mu+Cl₂ and Br₂ reactions. The comparison of calculated rate constants and kinetic isotope effects (KIE's) with experiment is used as a test of the validity of semiempirical potential energy surfaces. Furthermore the VTST-plus-tunneling calculations allow an analysis of the KIE's that identifies those features of the potential which control the isotope effects.     

Near‐Infrared Polymer Light‐Emitting Diodes Based on Low‐Energy Gap Oligomers Copolymerized into a High‐Gap Polymer Host

Near‐infrared (NIR) polymer light‐emitting diodes (PLEDs) based on a fluorene–dioctyloxyphenylene wide‐gap host material copolymerized with a low‐gap emitter are presented. Various loadings (1, 2.5, 10, 20 mol%) of the low‐gap emitter are studied, with higher loadings leading to decreased efficiencies likely due to aggregation effects. While the 10 mol% loading resulted in almost pure NIR emission (>99.6%), the 1 mol% loading yielded optimum device performance, which is among the best reported to date for a unblended single‐layer pure polymer emitter, with an external quantum efficiencies of 0.04% emitting at 909 nm. The high spectral purity of the PLEDs combined with their performance support the methodology of copolymerization as an effective strategy for developing NIR PLEDs.