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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Du, Jun
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Publications (3/3 displayed)
- 2023The effects of carbonaceous inclusions and their distributions on dynamic failure processes in boron carbide ceramicscitations
- 2022Method for extraction and analysis of per- and poly-fluoroalkyl substances in contaminated asphaltcitations
- 2018Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexescitations
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article
Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes
Abstract
<p>1-Nitronaphthalenyl-4-alkynyl and 9-nitroanthracenyl-10-alkynyl complexes [M](CC-4-C<sub>10</sub>H<sub>6</sub>-1-NO<sub>2</sub>) ([M] = trans-[RuCl(dppe)<sub>2</sub>] (6b), trans-[RuCl(dppm)<sub>2</sub>] (7b), Ru(PPh<sub>3</sub>)<sub>2</sub>(η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>) (8b), Ni(PPh<sub>3</sub>)(η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>) (9b), Au(PPh<sub>3</sub>) (10b)) and [M](CC-10-C<sub>14</sub>H<sub>8</sub>-9-NO<sub>2</sub>) ([M] = trans-[RuCl(dppe)<sub>2</sub>] (6c), trans-[RuCl(dppm)<sub>2</sub>] (7c), Ru(PPh<sub>3</sub>)<sub>2</sub>(η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>) (8c), Ni(PPh<sub>3</sub>)(η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>) (9c), Au(PPh<sub>3</sub>) (10c)) were synthesized and their identities were confirmed by single-crystal X-ray diffraction studies. Electrochemical studies and a comparison to the 1-nitrophenyl-4-alkynyl analogues [M](CC-4-C<sub>6</sub>H<sub>4</sub>-1-NO<sub>2</sub>) ([M] = trans-[RuCl(dppe)<sub>2</sub>] (6a), trans-[RuCl(dppm)<sub>2</sub>] (7a), Ru(PPh<sub>3</sub>)<sub>2</sub>(η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>) (8a), Ni(PPh<sub>3</sub>)(η<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>) (9a), Au(PPh<sub>3</sub>) (10a)) reveal a decrease in oxidation potential for ruthenium and nickel complexes on proceeding from the phenyl- to naphthalenyl- and then anthracenyl-containing bridge. HOMO → LUMO transitions characteristic of MCC-1-C<sub>6</sub>H<sub>4</sub> to 4-C<sub>6</sub>H<sub>4</sub>-1-NO<sub>2</sub> charge transfer red-shift and gain in intensity on proceeding to the ruthenium complexes; the low-energy transitions have increasing ILCT character on proceeding from the phenyl- to naphthalenyl- and then anthracenyl-containing bridge. Spectroelectrochemical studies of the Ru-containing complexes reveal the appearance of low-energy bands corresponding to chloro-to-Ru<sup>III</sup> charge transfer that red-shift on proceeding from the phenyl- to naphthalenyl- and then anthracenyl-containing bridge. Second-order nonlinear optical (NLO) studies at 1064 nm employing ns pulses and the hyper-Rayleigh scattering technique reveal an increase in quadratic optical nonlinearity upon introduction of metal to the precursor alkyne to afford alkynyl complexes and on proceeding from ligated-gold to -nickel and then to -ruthenium for a fixed alkynyl ligand. Quadratic NLO data of the gold complexes optically transparent at the second-harmonic wavelength reveal an increase in β<sub>HRS</sub> on proceeding from the phenyl- to the naphthalenyl-containing complex. Broad spectral range third-order nonlinear optical studies employing fs pulses and the Z-scan technique reveal an increase in two-photon absorption cross-section on replacing ligated-gold by -nickel and then -ruthenium for a fixed alkynyl ligand. Computational studies undertaken using time-dependent density functional theory have been employed to assign the nature of the key optical transitions and suggest that the significant optical nonlinearities observed for the ruthenium-containing complexes correlate with the low-energy formally Ru → NO<sub>2</sub> band which possesses strong MLCT character, while the more moderate nonlinearities of the gold complexes correlate with a band higher in energy that is primarily ILCT in character.</p>