Bandlist 26 26

Raman bandlist of natural Aragonite

Title
Raman bandlist of natural Aragonite
Band list reference
Schmitt, Bernard and The SSHADE Band List Committee (2021): Raman bandlist of natural Aragonite. Version 1. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_RAMAN_ARAGONITE
Publication(s)
Type
Raman scattering
Description
FIR-MIR Raman bandlist of natural Aragonite at 295K and 80K
Number of bands
26
Comments
only partial compilation of litterature
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
114 ± 2 114 ± 2 8.5 ± 1 0.006 vw
νL,T (B1g)
translation
libration
(CO3)2-
Ca2+

124 ± 1.5 124 ± 1.5 9 ± 3 0.0016 ew
νL,T (B3g)
translation
libration
(CO3)2-
Ca2+

143 ± 2 143 ± 2 3 ± 1 0.02 vw
νL,T (Ag)
translation
libration
(CO3)2-
Ca2+

153.5 ± 2 153.5 ± 2 7 ± 2 0.14 m
νL (B1g)
libration
(CO3)2-

162 ± 2 162 ± 2 4 ± 1 0.01 vw
νL,T (Ag)
translation
libration
(CO3)2-
Ca2+

180.5 ± 2 180.5 ± 2 5 ± 1.5 0.029 w
νL,T (B2g)
νL,T (B3g)
translation
libration
translation
libration
(CO3)2-
Ca2+
(CO3)2-
Ca2+
accidental double
accidental double

190.5 ± 1.5 190.5 ± 1.5 7.5 ± 1.5 0.011 vw
νL,T (B3g)
translation
libration
(CO3)2-
Ca2+

193 ± 1.5 193 ± 1.5 4.5 ± 1.5 0.003 vvw
νT (Ag)
translation
(CO3)2-
Ca2+

206.5 ± 2 206.5 ± 2 5.5 ± 1 0.13 m
νL,T (B2g)
translation
libration
(CO3)2-
Ca2+

207 ± 1 207 ± 1 9.0e-04 ew
νL,T (B1g)
translation
libration
(CO3)2-
Ca2+

215 ± 2 215 ± 2 8 ± 1 0.022 w
νL,T (Ag)
νL,T (B1g)
translation
libration
translation
libration
(CO3)2-
Ca2+
(CO3)2-
accidental double
accidental double

248.5 ± 2 248.5 ± 2 10 ± 1 0.01 vw
νL,T (B2g)
translation
libration
(CO3)2-
Ca2+

260.5 ± 1.5 260.5 ± 1.5 8.5 ± 1 0.009 vw
νT (B2g)
translation
(CO3)2-
Ca2+

272 ± 1.5 272 ± 1.5 9.3 ± 0.5 0.007 vw
νL (B3g)
libration
(CO3)2-

280 ± 3 280 ± 3 0.018 vw
νL,T (B2g)
translation
libration
(CO3)2-
Ca2+

284 ± 1 284 ± 1 13.5 ± 3 0.0055 vvw
νL,T (Ag)
translation
libration
(CO3)2-
Ca2+

701 ± 1 701 ± 1 2 ± 0.3 0.05 w
ν4 (B3g)
bending asym. in-p (rocking)
(CO3)2-
(CO3)2-

705.5 ± 1 705.5 ± 1 2.5 ± 0.5 0.05 w
ν4 (Ag)
ν4 (B1g)
bending asym. in-p (rocking)
bending asym. in-p (rocking)
(CO3)2-
(CO3)2-
(CO3)2-
(CO3)2-
accidental double
accidental double

716.5 ± 1 716.5 ± 1 2.5 ± 0.5 0.0044 vvw
ν4 (B2g)
bending asym. in-p (rocking)
(CO3)2-
(CO3)2-

853 ± 1 853 ± 1 2.1 ± 0.3 0.003 vvw
ν2 (Ag)
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-

908 ± 1 908 ± 1 4 ± 2 7.0e-04 ew
ν2 (B2g)
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-

1059.5 ± 1 1059.5 ± 1 2.5 ± 1 0.004 vvw
ν1 (Ag)
stretching sym.
12C18O-2/3
(C18OO2)2-

1085.5 ± 1 1085.5 ± 1 1.8 ± 0.3 1 vs
ν1 (Ag)
ν1 (B2g)
stretching sym.
stretching sym.
CO-2/3
CO-2/3
(CO3)2-
(CO3)2-
accidental double
accidental double

1415 ± 10 1415 ± 10 5.0e-04 ew
ν3 (B3g)
stretching asym.
CO-2/3
(CO3)2-

1462 ± 1.5 1462 ± 1.5 4 ± 1.5 0.014 vw
ν3 (B1g)
ν3 (Ag)
stretching asym.
stretching asym.
CO-2/3
CO-2/3
(CO3)2-
(CO3)2-
accidental double
accidental double

1575 ± 1.5 1575 ± 1.5 7.2 ± 0.8 0.0035 vvw
ν3 (B2g)
stretching asym.
CO-2/3
(CO3)2-

Spectral range type(s)
MIR, FIR
Spectral range(s)
100 - 1600 cm-1
Reference position Raman
1086 cm-1

Versions

Release date
2021-10-01 12:56:18 UTC+0000
Version (Date)
#1 (2021-10-01 12:56:18 UTC+0000, Updated: 2023-08-22 10:06:09 UTC+0000)
History
Date Mode Version Status Comments
2021-10-01 06:24:01 UTC+0000 first import #1 valid version
Analysis
Using data compilation from Fresh et al. (1980), Kraft et al. (1991), Gillet et al. (1993), Alfa et al. (1997), Carteret et al. (2013), Farsang et al. (2018), De La Pierre et al. (2014) + analysis of spectrum of Aragonite in SSHADE (REAP) for 295K. Data from De La Pierre et al. (2014) for 80K.
Quality flag
4
Validation date
2023-08-22
Validators