[PO_(4)]3-possesses small microscopic secondorder susceptibility and polarizability anisotropy,which inherently result in weak second-harmonic generation (SHG)and small birefringence.Herein,a new noncentrosymmetric ph...[PO_(4)]3-possesses small microscopic secondorder susceptibility and polarizability anisotropy,which inherently result in weak second-harmonic generation (SHG)and small birefringence.Herein,a new noncentrosymmetric phosphate,[C(NH_(2))3]3PO_(4)·2H_(2)O,was successfully designed and synthesized by a solution evaporation method.[C(NH_(2))3]3PO_(4)·2H_(2)O without metal ions is composed of planar conjugated guanidine cations and PO_(4)tetrahedrons,which are connected by hydrogen bonds,forming a three-dimensional network.Physical property measurements indicate that the title compound displays an SHG response of 1.5×KH_(2)PO_(4)(KDP) and a larger birefringence (0.055@546.1 nm)compared with most reported ultraviolet nonlinear optical phosphates.Furthermore,first-principles calculations reveal that theπ-conjugated planar[C(NH_(2))3]+cations and[PO_(4)]3-groups are responsible for its excellent linear and NLOproperties.展开更多
基金supported by the National Natural Science Foundation of China (21975255,51890862,21921001 and U1605245)the National Key Research and Development Plan of Ministry of Science and Technology (2016YFB0402104)+2 种基金the Strategic Priority Research Program of the Chinese Academy of Sciences (XDB20000000)the Natural Science Foundation of Fujian Province (2019J01020758)Youth Innovation Promotion Association CAS (2019303)。
文摘[PO_(4)]3-possesses small microscopic secondorder susceptibility and polarizability anisotropy,which inherently result in weak second-harmonic generation (SHG)and small birefringence.Herein,a new noncentrosymmetric phosphate,[C(NH_(2))3]3PO_(4)·2H_(2)O,was successfully designed and synthesized by a solution evaporation method.[C(NH_(2))3]3PO_(4)·2H_(2)O without metal ions is composed of planar conjugated guanidine cations and PO_(4)tetrahedrons,which are connected by hydrogen bonds,forming a three-dimensional network.Physical property measurements indicate that the title compound displays an SHG response of 1.5×KH_(2)PO_(4)(KDP) and a larger birefringence (0.055@546.1 nm)compared with most reported ultraviolet nonlinear optical phosphates.Furthermore,first-principles calculations reveal that theπ-conjugated planar[C(NH_(2))3]+cations and[PO_(4)]3-groups are responsible for its excellent linear and NLOproperties.
