Chemical bond analysis on second order nonlinear optical properties of Na2SeO4 center dot H2SeO3 center dot H2O

Autor(en): Xue, DF
Betzler, K 
Hesse, H
Ratajczak, H
Stichwörter: 2ND-HARMONIC GENERATION; CHARGE CALCULATION; Chemistry; Chemistry, Multidisciplinary; CRYSTALS; hydrogen bond; Na2SeO4 center dot H2SeO3-H2O; NLO; SHG; SUSCEPTIBILITIES; theoretical analysis
Erscheinungsdatum: 2002
Herausgeber: BULLETIN POLISH ACAD SCI
Enthalten in: BULLETIN OF THE POLISH ACADEMY OF SCIENCES-CHEMISTRY
Band: 50
Ausgabe: 3
Startseite: 289
Seitenende: 297
Zusammenfassung: 
Second order nonlinear optical properties of (Na2SeO4H2SeO3H2O)-H-.-H-. 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 lambda = 0.8716 mum 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 Na2SeO(4)(.)H(2)SeO(3)(.)H(2)O. 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

Show full item record

Page view(s)

2
Last Week
0
Last month
0
checked on Jun 17, 2024

Google ScholarTM

Check