Radical ions of alpha, alpha'-Bis(diphenylamino)-capped oligothiophenes: A combined spectroelectrochemical and theoretical study

Article Abstract:

A new homologous series of alpha, alpha'-bis(diphenylamino)-capped oligothiophenes, prepared by a palladium-catalyzed coupling reaction of stannylated 2-diphenylaminothiophenes with 2-mono- or 2,5-dibromothiophenes and their homologous were studied by in situ ESR/UV-vis/NIR spectroelectrochemistry. Unrestricted density functional calculations of oligothiophene dications (bipolarons) with five or more thiophene rings result in spin-broken structures which might be considered as two-polaron biradicals (polaron pairs).

Amino compounds, Structure, Thiophene, Biphenyl (Compound)

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A large family of dysprosium-based trimetallic nitride endohedral fullerenes: Dy3N@C(sub 2n)[(39 smaller than or equal to) n (smaller or equal to 44)]

Article Abstract:

The production, isolation, and spectroscopic characterization of a new large family of clusterfullerenes based on dysprosium, the ) [(39 smaller than or equal to) n (smaller or equal to 44)] is reported. The result indicates that the ) clusterfullerenes with small cages are large-band-gap materials, while the band-gaps for those with larger cages are significantly smaller.

Spectrum analysis, Spectroscopy, Dysprosium

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[C.sub.78] Cage isomerism defined by trimetallic nitride cluster size: A computational and vibrational spectroscopic study

Article Abstract:

The role of the cluster size for the fullerene cage isomerism in trimetallic nitride clusterfullerenes are demonstrated using density functional theory (DFT) computations, Fourier transform infrared (FTIR) and Raman analysis. The structural assignment based on the energetic considerations is further solidified by vibrational spectroscopic studies.

Usage, Raman effect, Vibrational spectra

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