The second-harmonic generation intensification derived from localization conjugated π-orbitals in O22-

被引：32

作者：

Song, Yunxia ^{[1
,2
]}

Luo, Min ^{[1
]}

Liang, Fei ^{[2
,3
]}

Ye, Ning ^{[1
]}

Lin, Zheshuai ^{[3
]}

机构：

[1] Chinese Acad Sci, Fujian Inst Res Struct Matter, Key Lab Optoelect Mat Chem & Phys, Fuzhou 350002, Fujian, Peoples R China

[2] Univ Chinese Acad Sci, Beijing 100049, Peoples R China

[3] Chinese Acad Sci, Tech Inst Phys & Chem, Beijing Ctr Crystal R&D, Beijing 100190, Peoples R China

来源：

CHEMICAL COMMUNICATIONS | 2018年 / 54卷 / 12期

基金：

中国国家自然科学基金;

关键词：

FLUORIDE CARBONATE; CRYSTALS; RB;

D O I：

10.1039/c7cc08863a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Molecular construction with pi-conjugated groups is a favorable strategy to discover superior nonlinear optical (NLO) materials. Herein, a novel vanadium-carbonate compound K-3[V(O-2)(2)O]CO3 (KVCO), which combines two different pi-orbital groups, delocalized (CO3)(2-) pi-orbital groups and localized (O2)(2-) pi-orbital groups, was synthesized. Benefiting from the well-arranged [V(O-2)(2)OCO3] unit and dual-synergistic pi-d-pi interaction, KVCO has the largest second harmonic generation (SHG) effect (about 20 times that of KDP) among the current carbonate NLOmaterials. Moreover, first-principles calculation elucidated the coupling enhancement mechanism between (CO3)(2-), (O-2)(2-) and VOn groups.

引用

页码：1445 / 1448

页数：4

共 21 条

[1] LINEAR AND NONLINEAR OPTICAL PROPERTIES OF ZNGEP2 AND CDSE [J].