Heteroatoms were introduced as a novel modification strategy for fine-tuning the diradical character of molecular systems. Both the diradical character and the singlet-triplet energy gaps of diketopyrrolopyrrole based phenoxyl diradicaloids decreased as the size of the substituted heteroatoms (from O, S to Se atom) increased.

中文翻译：

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通过杂原子效应微调分子系统的双自由基特性。

引入杂原子作为微调分子系统双自由基特性的新型修饰策略。随着取代杂原子（从O，S到Se原子）尺寸的增加，基于二酮吡咯并吡咯的苯氧基双自由基的双自由基特性和单线态-三重态能隙都减小。