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Rb 3 VO(O 2 ) 2 CO 3 : A Four‐in‐One Carbonatoperoxovanadate Exhibiting an Extremely Strong Second‐Harmonic Generation Response
Author(s) -
Zou Guohong,
Jo Hongil,
Lim SeongJi,
You TaeSoo,
Ok Kang Min
Publication year - 2018
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201804354
Subject(s) - second harmonic generation , nonlinear optical , polarizability , delocalized electron , chromophore , ion , crystallography , phase (matter) , crystal (programming language) , crystal structure , diffraction , chemistry , analytical chemistry (journal) , materials science , physics , nonlinear system , photochemistry , optics , molecule , laser , organic chemistry , chromatography , quantum mechanics , computer science , programming language
A nonlinear optical (NLO) carbonatoperoxovanadate, Rb 3 VO(O 2 ) 2 CO 3 , was synthesized through a simple solution‐evaporation method in phase‐pure form. Single‐crystal X‐ray diffraction revealed that the structure of Rb 3 VO(O 2 ) 2 CO 3 consists of important noncentrosymmetric (NCS) chromophores, that is, π‐delocalized (CO 3 ) 2− groups, a second‐order Jahn–Teller (SOJT) distortive V 5+ cation, and π‐localized distorted O 2 2− groups, as well as charge‐balancing polarizable Rb + ions. The powder second‐harmonic generation (SHG) measurements indicated that Rb 3 VO(O 2 ) 2 CO 3 is phase‐matchable (Type I) and exhibits a remarkably strong SHG response circa 21.0 times that of potassium dihydrogen phosphate (KDP), which is the largest efficiency observed among carbonate NLO materials. First‐principles calculation analysis suggests that the extremely large SHG response of Rb 3 VO(O 2 ) 2 CO 3 is attributed to the synergistic effect of the cooperation of all the constituting NCS chromophores.