Local atomic order and infrared spectra of biogenic calcite

Rachel Gueta; Amir Natan; Lia Addadi; Steve Weiner; Keith Refson; Leeor Kronik

doi:10.1002/anie.200603327

Local atomic order and infrared spectra of biogenic calcite

Rachel Gueta^*, Amir Natan, Lia Addadi, Steve Weiner, Keith Refson, Leeor Kronik

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

82 Scopus citations

Abstract

Shining light on local order: The relations between local crystalline order and peak intensities in the infrared spectra of calcite are explained in terms of different sensitivities to Ca-O and O⋯O distances (see picture) by comparing ab initio phonon spectra for ideal and distorted calcite unit cells with experimental spectra of various biogenic and geological calcites. (Figure Presented).

Original language	English
Pages (from-to)	291-294
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	46
Issue number	1-2
DOIs	https://doi.org/10.1002/anie.200603327
State	Published - 2007
Externally published	Yes

Keywords

Bioinorganic chemistry
Calcite
Calcium
Density functional calculations
Vibrational spectroscopy

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10.1002/anie.200603327

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abstract = "Shining light on local order: The relations between local crystalline order and peak intensities in the infrared spectra of calcite are explained in terms of different sensitivities to Ca-O and O⋯O distances (see picture) by comparing ab initio phonon spectra for ideal and distorted calcite unit cells with experimental spectra of various biogenic and geological calcites. (Figure Presented).",

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AU - Gueta, Rachel

AU - Natan, Amir

AU - Addadi, Lia

AU - Weiner, Steve

AU - Refson, Keith

AU - Kronik, Leeor

PY - 2007

Y1 - 2007

N2 - Shining light on local order: The relations between local crystalline order and peak intensities in the infrared spectra of calcite are explained in terms of different sensitivities to Ca-O and O⋯O distances (see picture) by comparing ab initio phonon spectra for ideal and distorted calcite unit cells with experimental spectra of various biogenic and geological calcites. (Figure Presented).

AB - Shining light on local order: The relations between local crystalline order and peak intensities in the infrared spectra of calcite are explained in terms of different sensitivities to Ca-O and O⋯O distances (see picture) by comparing ab initio phonon spectra for ideal and distorted calcite unit cells with experimental spectra of various biogenic and geological calcites. (Figure Presented).

KW - Bioinorganic chemistry

KW - Calcite

KW - Calcium

KW - Density functional calculations

KW - Vibrational spectroscopy

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JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

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ER -

Local atomic order and infrared spectra of biogenic calcite

Abstract

Keywords

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