Chemical bond analysis on second order nonlinear optical properties of Na2SeO4·H2SeO3·H 2O
| Autor(en): | Xue, D. Betzler, K. Hesse, H. Ratajczak, H. |
Stichwörter: | oxygen, 7782-44-7; selenium, 7782-49-2; sodium, 7440-23-5; water, 7732-18-5; calculation; chemical analysis; chemical bond; chemical compound; chemical environment; crystal structure; Hydrogen bond; materials; Na2SeO4·H2SeO3 ·H2O; NLO; oxygen; quantitative analysis; selenium; SHG; sodium; Theoretical analysis; water, article | Erscheinungsdatum: | 2002 | Enthalten in: | Bulletin of the Polish Academy of Sciences | Band: | 50 | Ausgabe: | 3 | Startseite: | 289 | Seitenende: | 297 | Zusammenfassung: | Second order nonlinear optical properties of Na2SeO4·H2SeO3·H 2O crystals with hydrogen bonds have been quantitatively studied from the chemical bond viewpoint. Contributions of all constituent chemical bonds to the total linear and nonlinear optical properties of this crystal at λ = 0.8716 μm have been determined. The chemical bond method quantitatively expresses those contributions. The current calculation shows that hydrogen bonds play a very important role in contributing to the total linear and nonlinear optical properties of Na2SeO4·H2SeO3·H 2O. Our results show that the coordination environments of the hydrogen bonds strongly affect their contributions to the optical response of the host crystal. Therefore, a successful selection of the excellent coordination environment of hydrogen bonds would help us to find good materials suitable for efficient second harmonic generation. |
ISSN: | 02397285 | Externe URL: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-0036960035&partnerID=40&md5=07e4cc1828f0380d98491de7d0d4b760 |
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