Aspects of the Nonlinear Optical Properties as a Guide to Protonation Sites: A Theoretical Study upon alpha-Keggin [SiW12O40](4-) and [SiV3W9O40](7-)

作者：Yao, Chan; Liu, Chun-Guang; Yan, Li-Kai; Guan, Wei; Song, Ping; Su, Zhong-Min^*

来源：Chemistry Letters, 2010, 39(6): 580-581.

DOI：10.1246/cl.2010.580

• CORRECT ASYMPTOTIC-BEHAVIOR
• HETEROPOLY COMPOUNDS
• ACIDIC PROTONS
• NMR
• APPROXIMATION
• H3PW12O40
• ELECTRON
• LOCATION
• DESIGN
• ENERGY

The present study focuses on probing the extent to which nonlinear optical effects act as a guide to protonation sites of alpha-Keggin heteropolyanions [SiW12O40](4-) and [SiV3W9O40](7-) The second-harmonic generation (SHG) values of differently protonated forms predict that the molecular nonlinear optical activity has a close relationship with protonation sites and provides a new potential experimental probe.

• 出版日期2010-6-5
• 单位东北师范大学