Integrated experimental and computational spectroscopy study on the protonation of the α-nitronyl nitroxide radical unit.
نویسندگان
چکیده
The stability of the α-nitronyl nitroxide radical unit under acidic conditions is investigated by an integrated experimental UV/Vis spectroscopy and TDDFT study. In the field of molecular magnetism, α-nitronyl nitroxide radicals are important as purely organic spin carriers due to their synthetic versatility. Here, the existence of an intermediate of the protonated α-nitronyl nitroxide radical unit is demonstrated for the first time and a proposed disproportionation reaction is confirmed.
منابع مشابه
The vibrational group frequency of the N-O* stretching band of nitroxide stable free radicals.
The group frequency of the N-O radical stretching vibration has received scant attention in the literature. The few existing treatments of the vibrational spectroscopy of nitroxides are incomplete at best and potentially misleading to workers in the field. To close this gap in the available knowledge, the existing literature on the vibrational spectra of nitroxide stable free radicals is critic...
متن کاملIntegrated Computational Approach to the Electron Paramagnetic Resonance Characterization of Rigid 310-Helical Peptides with TOAC Nitroxide Spin Labels
We address the interpretation, via an integrated computational approach, of the experimental continuous-wave electron paramagnetic resonance (cw-EPR) spectra of a complete set of conformationally highly restricted, stable 310-helical peptides from hexa- to nonamers, each bis-labeled with nitroxide radical-containing TOAC (4-amino-1-oxyl-2,2,6,6-tetramethylpiperidine-4-carboxylic acid) residues....
متن کاملSubstrate-induced effects in thin films of a potential magnet composed of metal-free organic radicals deposited on Si(111).
We deposit a paramagnetic pyrene derivative of the nitronyl nitroxide radical on Si(111). The molecules experience a strong chemical interaction with the substrate that influences the film growth. We also study the time evolution of the nitronyl nitroxide radical under a micro-focused soft X-ray beam, observing a stable radical as a product. This result hints at the possibility of using this cl...
متن کاملReactivities of Substituted α-Phenyl-N-tert-butyl Nitrones
In this work, a series of α-phenyl-N-tert-butyl nitrones bearing one, two, or three substituents on the tert-butyl group was synthesized. Cyclic voltammetry (CV) was used to investigate their electrochemical properties and showed a more pronounced substituent effect for oxidation than for reduction. Rate constants of superoxide radical (O2(•-)) reactions with nitrones were determined using a UV...
متن کاملThe Design of Radical Stacks: Nitronyl‐Nitroxide‐Substituted Heteropentacenes
The first alkyl chain-anchored heteropentacene, dithieno[2,3-d;2',3'-d']benzo-[1,2-b;3,4-b']dithiophene (DTmBDT), mono- or disubstituted with a nitronyl nitroxide group has been prepared through a cross-coupling synthetic procedure of the corresponding dibromo-derivative (Br2-DTmBDT) with a nitronyl nitroxide-2-ide gold(I) complex. The synthesized nitroxides possess high kinetic stability, whic...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 14 5 شماره
صفحات -
تاریخ انتشار 2012