Aromaticity and π-bond covalency: prominent intermolecular covalent bonding interaction of a Kekule hydrocarbon with very significant singlet biradical character
Aromaticity and π-bond covalency: prominent intermolecular covalent bonding interaction of a Kekule hydrocarbon with very significant singlet biradical character
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DOI：
10.1039/c2cc31955a
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发表时间：
2012-01-01
影响因子：
4.9
通讯作者：
Yakushi, Kyuya
中科院分区：
文献类型：
--
作者：
Shimizu, Akihiro;Hirao, Yasukazu;Yakushi, Kyuya
一种具有单线双键性的蒽键双苯基凯库勒分子在分子聚集体中表现出明显的共价键相互作用。蒽连接体中芳烃稳定能高是其单线双键性显著的原因。
An anthracene-linked bisphenalenyl Kekule molecule with very significant singlet biradical character has shown a prominent covalent bonding interaction between molecules in a molecular aggregate. High aromatic stabilization energy in the anthracene linker is responsible for the significant singlet biradical character.