Structures and nonlinear optical properties of molecular crystals DMCC and DBCC

✍ Scribed by Hong-Yu Chen; Qi Fang; Hong Lei; Wen-Tao Yu; Xiu-Feng Cheng; Zhi-Qiang Liu

• Publisher: Elsevier Science
• Year: 2007
• Tongue: English
• Weight: 242 KB
• Volume: 871
• Category: Article
• ISSN: 0022-2860
• DOI: 10.1016/j.molstruc.2007.01.041

✦ Synopsis

Structures and nonlinear optical properties of dimethylcroconate (DMCC) and dibenzoylcroconate (DBCC) are reported. The SHG active DMCC crystal packed in non-centrosymmetric P2 1 2 1 2 1 space group. The DBCC crystal has a host-guest structure and crystallized in centrosymmetric P2 1 /n space group. In DBCC crystal, the host DBCC molecules build channels along the b direction with the guest benzene molecules trapped in the channels. DSC, XRD, SHG and structural studies reveal that these benzene molecules can be removed at 90 °C, accompanying the loss of the centro-symmetry and resulting in the SHG active new crystalline phase.