π-Conjugation of Two Nitronyl Nitroxides-Attached Diarylethenes | Zendy

Satoshi Yokojima | Zendy; Takao Kobayashi | Zendy; Keiko Shinoda | Zendy; Kenji Matsuda | Zendy; Kenji Higashiguchi | Zendy; Shinichiro Nakamura | Zendy

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π-Conjugation of Two Nitronyl Nitroxides-Attached Diarylethenes

Author(s) -

Satoshi Yokojima,

Takao Kobayashi,

Keiko Shinoda,

Kenji Matsuda,

Kenji Higashiguchi,

Shinichiro Nakamura

Publication year - 2011

Publication title -

the journal of physical chemistry b

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.864

H-Index - 392

eISSN - 1520-6106

pISSN - 1520-5207

DOI - 10.1021/jp2002707

Subject(s) - diarylethene , thiophene , time dependent density functional theory , dihedral angle , nitroxide mediated radical polymerization , density functional theory , photochromism , chemistry , photochemistry , crystallography , molecule , computational chemistry , hydrogen bond , polymer , organic chemistry , polymerization , radical polymerization

Unusual blue shift of the absorption maxima of two nitronyl nitroxide attached diarylethene through phenyl units (DAE-phe-NN) with increasing number of phenyl units is examined by time dependent density functional theory (TDDFT). The extended π-conjugation between nitronyl nitroxide and diarylethene is rather suppressed by the bridge phenyl units. In comparison, the red shift found in two nitronyl nitroxide attached diarylethenes through thiophene units (DAE-thio-NN) with increasing number of thiophene units is due to the longer π-conjugation induced by smaller dihedral angles between diarylethene and bridge and between bridges.

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