Design of the Ionic Organic Nonlinear Optical Material NH4 [LiC3 H(CH3 )O4 ] with Ultrawide Band Gap and Moderate Birefringence.
Angew Chem Int Ed Engl
; 62(29): e202304858, 2023 Jul 17.
Article
in En
| MEDLINE
| ID: mdl-37218024
ABSTRACT
Ionic organic crystals containing organic planar π-conjugated units has become one of the hot spots as nonlinear optical (NLO) materials. However, although this type of ionic organic NLO crystals commonly have remarkable second harmonic generation (SHG) responses, they also suffer from overlarge birefringences and relatively small band gaps that be hardly beyond 6.2â
eV. Herein, a flexible π-conjugated [C3 H(CH3 )O4 ]2- unit was theoretically revealed, showing great potential for designing NLO crystals with balanced optical properties. Accordingly, through the reasonable NLO-favourable layered design, a new ionic organic material, NH4 [LiC3 H(CH3 )O4 ], was successfully obtained. As expected, it achieves not only a large SHG effect (4×KDP), but also a suitable birefringence (0.06@546â
nm) and an ultrawide band gap (>6.5â
eV). This study provides a new flexible π-conjugated NLO-active unit, contributing to design more ionic organic NLO materials with excellent balanced optical properties.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Angew Chem Int Ed Engl
Year:
2023
Type:
Article
Affiliation country:
China