Hydrolysis mechanism of double six-membered ring pentaborate anion

被引：5

作者：

Zhou, Hong-Xia ^{[1
]}

Zhu, Fa-Yan ^{[2
,3
]}

Liu, Hong-Yan ^{[2
,3
]}

Zhang, Wen-Qian ^{[2
,3
]}

Zhou, Yong-Quan ^{[2
,3
]}

Fang, Chun-Hui ^{[2
,3
]}

Li, Hai-Bei ^{[4
]}

机构：

[1] Qinghai Univ, Qinghai Prov Engn Res Ctr High Performance Light, Qinghai Prov Key Lab New Light Alloys, Xining 810016, Peoples R China

[2] Chinese Acad Sci, Qinghai Inst Salt Lakes, Key Lab Comprehens & Highly Efficient Utilizat Sa, Xining 81008, Peoples R China

[3] Key Lab Salt Lake Resources Chem Qinghai Prov, Xining 81008, Peoples R China

[4] Shandong Univ, Sch Ocean, Weihai 264209, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2020年 / 739卷

基金：

中国国家自然科学基金;

关键词：

Hydrolysis mechanism; Pentaborate anion; Polymerization; Distribution map of borate species; NUCLEAR-MAGNETIC-RESONANCE; OLIGOMERIZATION REACTIONS; METABORATE SOLUTIONS; INFRARED-SPECTRA; POLYBORATE; BORATE; RAMAN; DFT; ASSOCIATION; TEMPERATURE;

D O I：

10.1016/j.cplett.2019.136930

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

DFT-based calculations show that B5O6(OH)(4)- forms B5O5(OH)(6)(-) intermediate during the first step of hydrolysis. Then, the hydrolysis pathways are divided to principal and secondary reactions. In the principal reaction, hydrolysis occurs at the bridge position between the six-membered ring and branch BO3 units to form B(OH)(3) and B3O3(OH)(4)(-). B3O3(OH)(4)(-) hydrolyzes in dilute solution to B(OH)(3) and B(OH)(4)(-). In the secondary reaction, hydrolysis of B5O5(OH)(6)(-) occurs at the bridge position in the ring to form a "network-chain" structure B5O4(OH)(8)(-). Then, hydrolysis occurs at the bridge atoms, each BO3 unit is converted to B(OH)(3), and BO4 unit is finally converted to B(OH)(4)(-).

引用

页数：10

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