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Ag[B(SO4)2] – Synthesis, Crystal Structure, and Characterization of the First Precious-Metal Borosulfate
European Journal of Inorganic Chemistry ( IF 2.2 ) Pub Date : 2017-07-13 02:30:45 , DOI: 10.1002/ejic.201700360
Jörn Bruns 1 , Maren Podewitz 1 , Michael Schauperl 1 , Klaus R. Liedl 1 , Oliver Janka 2 , Rainer Pöttgen 2 , Hubert Huppertz 1
Affiliation  

The reaction of Ag(NO3) with H3BO3 in oleum (20 % SO3) yielded single crystals of Ag[B(SO4)2] [tetragonal, P4/ncc, Z = 4, a = 8.6679(5) Å, c = 7.2897(5) Å, V = 547.69(7) Å3]. In Ag[B(SO4)2], infinite anionic chains, according to the Niggli formula 1[B(SO4)4/2], are found in tetragonal-rod packing with charge compensation by AgI cations. The chains are built by central boron atoms coordinated through oxygen atoms to four bidentate bridging SO4 tetrahedra. Terminal oxygen atoms of the SO4 tetrahedra coordinate to the silver cations in the form of slightly distorted square prisms. Magnetochemical investigations reveal the expected closed-shell behavior of d10 cations. DFT investigations of the solid-state structure corroborate the experimental findings and permit the assignment of vibrational spectroscopic data.

中文翻译:

Ag [B(SO4)2] –第一种贵金属硼硫酸盐的合成,晶体结构和表征

Ag(NO 3)与H 3 BO 3在发烟硫酸(20%SO 3)中的反应产生单晶的Ag [B(SO 42 ] [四方,P 4 / ncc,Z = 4,a = 8.6679( 5),c= 7.2897(5),V= 547.69(7)3。对于Ag [B(SO 42 ],无限阴离子链,根据尼格里式1 [B(SO 44/2 ] - ,本文中结合被Ag电荷补偿四方棒状包装发现阳离子。这些链是由中心硼原子通过氧原子配位成四个双齿桥连的SO 4四面体而建立的。SO 4四面体的末端氧原子以略微扭曲的方棱柱的形式与银阳离子配位。磁化学研究揭示了预期的d 10阳离子的闭壳行为。DFT对固态结构的研究证实了实验结果,并允许分配振动光谱数据。
更新日期:2017-07-13
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