https://scholars.lib.ntu.edu.tw/handle/123456789/606867
標題: | Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH | 作者: | Huang Y.-C Rao A Huang S.-J Chang C.-Y Drechsler M Knaus J CHUN-CHUNG CHAN Raiteri P Gale J.D Gebauer D. |
關鍵字: | amorphous materials;bicarbonate;calcium carbonate;mineral nucleation;NMR spectroscopy;Calcite;Calcium carbonate;Carbonate minerals;Crystallization;Geology;Mineralogy;Molecular dynamics;Nuclear magnetic resonance spectroscopy;Nucleation;Quantum theory;Amorphous minerals;Calcium carbonate formation;Geological environment;Mechanistic pathways;Molecular dynamics simulations;Quantum-mechanical calculation;Solid state nuclear magnetic resonance spectroscopy;Structural component;Ions | 公開日期: | 2021 | 卷: | 60 | 期: | 30 | 起(迄)頁: | 16707-16713 | 來源出版物: | Angewandte Chemie - International Edition | 摘要: | Mechanistic pathways relevant to mineralization are not well-understood fundamentally, let alone in the context of their biological and geological environments. Through quantitative analysis of ion association at near-neutral pH, we identify the involvement of HCO3? ions in CaCO3 nucleation. Incorporation of HCO3? ions into the structure of amorphous intermediates is corroborated by solid-state nuclear magnetic resonance spectroscopy, complemented by quantum mechanical calculations and molecular dynamics simulations. We identify the roles of HCO3? ions as being through (i) competition for ion association during the formation of ion pairs and ion clusters prior to nucleation and (ii) incorporation as a significant structural component of amorphous mineral particles. The roles of HCO3? ions as active soluble species and structural constituents in CaCO3 formation are of fundamental importance and provide a basis for a better understanding of physiological and geological mineralization. ? 2021 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH |
URI: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85108189648&doi=10.1002%2fanie.202104002&partnerID=40&md5=ea16dbe08546a4055b619c11afe23de5 https://scholars.lib.ntu.edu.tw/handle/123456789/606867 |
ISSN: | 14337851 | DOI: | 10.1002/anie.202104002 |
顯示於: | 化學系 |
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