Isoindole and isomeric heterocyclic donating substituents in ruthenium(II)nitrosyl complexes with large first  hyperpolarizabilities and potential two-photon absorption capabilities: a computational approach

Bukhanko, Valerii; Malfant, Isabelle; Voitenko, Zoia; Lacroix, Pascal Georges

doi:10.17721/fujcV5I1P8-23

Isoindole and isomeric heterocyclic donating substituents in ruthenium(II)nitrosyl complexes with large first hyperpolarizabilities and potential two-photon absorption capabilities: a computational approach

Тип публікації :

Стаття

Дата випуску :

2017

Автор(и) :

Bukhanko, Valerii

Malfant, Isabelle

Voitenko, Zoia

Lacroix, Pascal Georges

Мова основного тексту :

Англійська

eKNUTSHIR URL :

https://ir.library.knu.ua/handle/15071834/25551

DOI :

10.17721/fujcV5I1P8-23

Журнал :

French-Ukrainian Journal of Chemistry

Том :

5

Випуск :

1

ISSN :

2312-3222

Початкова сторінка :

8

Кінцева сторінка :

23

Цитування :

[APA 7] Bukhanko, V., Malfant, I., Voitenko, Z., & Lacroix, P. G. (2017). Isoindole and isomeric heterocyclic donating substituents in ruthenium(II)nitrosyl complexes with large first hyperpolarizabilities and potential two-photon absorption capabilities: a computational approach. French-Ukrainian Journal of Chemistry, 5(1), 8–23. https://doi.org/10.17721/fujcV5I1P8-23

[ДСТУ] Isoindole and isomeric heterocyclic donating substituents in ruthenium(II)nitrosyl complexes with large first hyperpolarizabilities and potential two-photon absorption capabilities: a computational approach / V. Bukhanko et al. French-Ukrainian Journal of Chemistry. 2017. Vol. 5, no. 1. P. 8—23. DOI: 10.17721/fujcV5I1P8-23 (date of access: 25.07.2026).

A set of 22 ruthenium nitrosyl complexes of general formula [RuII(L)Cl2(NO)]+ is investigated computationally by the density functional theory. L is a terpyridine ligand substituted by different R isomers of formula C12H8N, either indole, isoindole, or carbazole, proposed as alternative donors to the electron-rich fluorene substituent. The computed resulting nonlinear optical (NLO) properties are found to strongly depend on the isomer. While the ruthenium complexes exhibit modest efficiencies at the second-order (two-photon absorption) level, some of the R isomers lead to complexes of enhanced capabilities in first order (b) nonlinear optics. The synthetic feasibility of these ligands is discussed.

Ключові слова :

ruthenium-nitrosyl isoindole two-photon absorption DFT computations

Файл(и) :

Завантажити

Формат :

Adobe PDF

Розмір :

1.36 MB

Контрольна сума :

(MD5):c84c7b5170a7d1f363c50ed05d148abd

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