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M 3 B 6 O 10 NO 3 (M = K, Rb): Two New Alkali Metal Borate‐Nitrates with Noncentrosymmetric Structures
Author(s) -
Zhang Qiqi,
Zhang Fangfang,
Li Fuming,
Han Shujuan,
Yang Zhihua,
Pan Shilie
Publication year - 2021
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.202001167
Subject(s) - alkali metal , chemistry , boron , crystallography , metal , inorganic chemistry , analytical chemistry (journal) , organic chemistry , chromatography
Two new alkali metal borate‐nitrates, M 3 B 6 O 10 NO 3 (M = K, Rb), with noncentrosymmetric space groups P 3 1 21 and P 3 2 21, respectively, have been synthesized successfully through the high‐temperature solution method in sealed quartz tubes. Both crystals feature the∞ 3 [ B 3 O 5 ]frameworks with large channels along the c ‐axis, in which the∞ 1 [ M ( 2 ) NO 3 ]chains locate. K 3 B 6 O 10 NO 3 presents a moderate phase‐matching powder second harmonic generation (SHG) response with a UV cut off edge of about 216 nm. The first principles calculations for both compounds have been executed to estimate the optical properties and deeply analyze the relationship between their structures and properties.