ACdCO3F (A = K and Rb): new noncentrosymmetric materials with remarkably strong second-harmonic generation (SHG) responses enhanced via π-interaction

被引：64

作者：

Zou, Guohong ^{[1
]}

Nam, Gnu ^{[2
]}

Kim, Hyung Gu ^{[1
]}

Jo, Hongil ^{[1
]}

You, Tae-Soo ^{[2
]}

Ok, Kang Min ^{[1
]}

机构：

[1] Chung Ang Univ, Dept Chem, Seoul 156756, South Korea

[2] Chungbuk Natl Univ, Dept Chem, Cheongju 361763, Chungbuk, South Korea

来源：

RSC ADVANCES | 2015年 / 5卷 / 103期

基金：

新加坡国家研究基金会; 中国国家自然科学基金;

关键词：

NONLINEAR-OPTICAL CRYSTAL; ALKALINE BERYLLIUM BORATE; POLAR MATERIAL; CATIONS; GROWTH; ROUTE; SIZE; GD; CS;

D O I：

10.1039/c5ra17209h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Two new noncentrosymmetric (NCS) materials, namely, ACdCO(3)F (A = K and Rb) containing both a d(10) cation (Cd2+) and a pi-conjugated parallel carbonate anion (CO32-), were synthesized through conventional solid state reactions. ACdCO(3)F exhibits a 3-dimensional structure that is composed of the stacked layers of [Cd(CO3)](infinity). Each [Cd(CO3)](infinity) layer is connected by infinite Cd-F-Cd chains and the [CO3] triangles are oriented in the same direction with a coplanar alignment. KCdCO3F and RbCdCO3F reveal remarkably strong second-harmonic generation (SHG) responses of approximately 9.0 and 7.2 times that of potassium dihydrogen phosphate (KDP), respectively, and both materials are phase-matchable. ACdCO(3)F exhibit wide transparent regions ranging from far UV to mid IR. Theoretical calculations confirm that the large SHG efficiencies indeed originate from enhancement via interatomic interactions between the s and p states of Cd2+ and the pi-conjugated groups of the [CO3](2-) unit within the [Cd(CO3)](infinity) layers.

引用

页码：84754 / 84761

页数：8

共 65 条

[51] New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F3 [J].