Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH
Journal
Angewandte Chemie - International Edition
Journal Volume
60
Journal Issue
30
Pages
16707-16713
Date Issued
2021
Author(s)
Abstract
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
Subjects
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
SDGs
Type
journal article