@article{b9c01b7d7bd84601948be5f467153efe,
title = "Intermolecular interaction effects on the second hyperpolarizability of open-shell singlet diphenalenyl radical dimer",
abstract = "We investigate the longitudinal static second hyperpolarizability (γ) of open-shell singlet diphenalenyl radical dimer using the spin-unrestricted density functional theory method. This dimer is known to be a model unit of a slipped stacked linear chain with an unusually short average π-π distance of 3.137 {\AA}. The longitudinal γ per monomer for this dimer is found to be significantly (about twice) enhanced as compared to that of monomer. This originates in the field-induced intermolecular virtual charge transfer between both-end phenalenyl rings through the strong covalent interaction between the unpaired electrons of the cofacial phenalenyl rings.",
author = "Masayoshi Nakano and Akihito Takebe and Ryohei Kishi and Hitoshi Fukui and Takuya Minami and Kazuki Kubota and Hideaki Takahashi and Takashi Kubo and Kenji Kamada and Koji Ohta and Beno{\^i}t Champagne and Edith Botek",
note = "Funding Information: This work is supported by Grant-in-Aid for Scientific Research (No. 18350007) from Japan Society for the Promotion of Science (JSPS), Grant-in-Aid for Scientific Research on Priority Areas (No. 18066010) from the Ministry of Education, Science, Sports and Culture of Japan, and the global COE (center of excellence) program {\textquoteleft}Global Education and Research Center for Bio-Environmental Chemistry{\textquoteright} of Osaka University. E.B. thanks the IUAP Program No. P6-27 for her postdoctoral Grant. B.C. thanks the Belgian National Fund for Scientific Research for his Research Director position.",
year = "2008",
month = mar,
day = "10",
doi = "10.1016/j.cplett.2008.01.084",
language = "English",
volume = "454",
pages = "97--104",
journal = "Chemical Physics Letters",
issn = "0009-2614",
publisher = "Elsevier B.V.",
number = "1-3",
}