Static and dynamic second hyperpolarizabilities of [FeL(MeOH)Cl](2) (L = N-(5-methylphenyl)-3-methoxysalicylaldimine)
| dc.contributor.author | Karakas, Asli | |
| dc.contributor.author | Unver, Huseyin | |
| dc.contributor.author | Elmali, Ayhan | |
| dc.date.accessioned | 2020-03-26T17:04:20Z | |
| dc.date.available | 2020-03-26T17:04:20Z | |
| dc.date.issued | 2006 | |
| dc.department | Selçuk Üniversitesi | en_US |
| dc.description.abstract | To investigate microscopic third-order nonlinear optical (NLO) behavior of the [FeL(MeOH)Cl](2) (L = N-(5-methylphenyl)-3-methoxysalicylaldimine) metal complex, we have computed both dispersion-free (static) and also frequency-dependent (dynamic) linear polarizabilities (alpha) and second hyperpolarizabilities (gamma) at lambda = 825-1125 nm and 1050-1600 nm wavelength areas using time-dependent Hartree-Fock (TDHF) method. According to ab initio calculation results, the title molecule exhibits second hyperpolarizabilities with non-zero values, implying microscopic third-order NLO behavior. (c) 2006 Elsevier B.V. All rights reserved. | en_US |
| dc.identifier.doi | 10.1016/j.theochem.2006.07.012 | en_US |
| dc.identifier.endpage | 70 | en_US |
| dc.identifier.issn | 0166-1280 | en_US |
| dc.identifier.issue | 01.03.2020 | en_US |
| dc.identifier.scopusquality | N/A | en_US |
| dc.identifier.startpage | 67 | en_US |
| dc.identifier.uri | https://dx.doi.org/10.1016/j.theochem.2006.07.012 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12395/20681 | |
| dc.identifier.volume | 774 | en_US |
| dc.identifier.wos | WOS:000242206600012 | en_US |
| dc.identifier.wosquality | Q3 | en_US |
| dc.indekslendigikaynak | Web of Science | en_US |
| dc.indekslendigikaynak | Scopus | en_US |
| dc.language.iso | en | en_US |
| dc.publisher | ELSEVIER SCIENCE BV | en_US |
| dc.relation.ispartof | JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.selcuk | 20240510_oaig | en_US |
| dc.subject | nonlinear optics | en_US |
| dc.subject | ab initio calculation | en_US |
| dc.subject | static second hyperpolarizability | en_US |
| dc.subject | frequency-dependent second hyperpolarizability | en_US |
| dc.subject | time-dependent Hartree-Fock | en_US |
| dc.title | Static and dynamic second hyperpolarizabilities of [FeL(MeOH)Cl](2) (L = N-(5-methylphenyl)-3-methoxysalicylaldimine) | en_US |
| dc.type | Article | en_US |
