FT-Raman and infrared spectroscopic study of aragonite-strontianite (CaxSr1-xCO3) solid solution

被引：64
|
作者：
Alia, JM
de Mera, YD
Edwards, HGM
Martin, PG
Andres, SL
机构：
[1] Univ Castilla La Mancha, Dept Quim Fis, EUITA, E-13071 Ciudad Real, Spain
[2] Univ Bradford, Bradford BD7 1DP, W Yorkshire, England
[3] Univ Complutense, Fac CC Geol, Dpto Cristalog & Mineral, E-28040 Madrid, Spain
来源：
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY | 1997年 / 53卷 / 13期
关键词：
FT-Raman; FTIR; aragonite; strontianite; fundamental modes;
D O I：
10.1016/S1386-1425(97)00175-3
中图分类号：
O433 [光谱学];
学科分类号：
0703 ; 070302 ;
摘要：
Synthetic aragonite-strontianite solid-solution samples have been studied using dispersive IR and FT-Raman spectroscopy. In addition to the end-members, nine samples over a range of composition from Ca0.9Sr0.1CO3 to Ca0.1Sr0.9CO3 were analysed. Carbonate anion internal modes are examined in detail by means of band-shape analysis and component fitting procedures. Positional disorder induced by the random cationic substitution results in strong increase of the halfwidth in several vibrational bands. Results obtained for the doubly degenerate modes (antisymmetric stretching and bending, nu(3) and nu(4)) reveal the presence of three components both in the TR antisymmetric stretching band as well as in the Raman antisymmetric bending band. These observations are interpreted in terms of an overtone 2 nu(4) in possible Fermi resonance with the corresponding nu(3) fundamental in the IR spectra, and the presence of Davidov (factor group) splitting in the FT-Raman nu(4) band. Lattice modes in the FT-Raman spectra demonstrate weaker cohesion between the cation/carbonate/cation layers in aragonite (synth) than in strontianite (synth). (C) 1997 Elsevier Science B.V.
引用
收藏
页码：2347 / 2362
页数：16
相关论文
共 45 条
  • [21] Spectroscopic analysis (FT-IR, FT-Raman and NMR) and molecular docking study of ethyl 2-(4-oxo-3-phenethyl-3,4-dihydroquinazolin-2-ylthio)-acetate
    El-Azab, Adel S.
    Jalaja, K.
    Abdel-Aziz, Alaa A. -M.
    Al-Obaid, Abdulrahman M.
    Mary, Y. Sheena
    Panicker, C. Yohannan
    Van Alsenoy, C.
    JOURNAL OF MOLECULAR STRUCTURE, 2016, 1119 : 451 - 461
  • [22] Comparative vibrational analysis of 1,2-Dinitro benzene and 1-Fluoro-3-nitro benzene: A combined experimental (FT-IR and FT-Raman) and theoretical study (DFT/B3LYP/B3PW91)
    Mahadevan, D.
    Periandy, S.
    Ramalingam, S.
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2011, 84 (01) : 86 - 98
  • [23] Crystal structure, FT-IR, FT-Raman, 1H NMR and computational study of ethyl 2-{[(Z)3-(4-chlorophenyl)-3-hydroxy-2-propene-1-thione] amino} acetate
    Prasanth, S.
    Varughese, Mary
    Joseph, Nirmala
    Mathew, Paulson
    Manojkumar, T. K.
    Sudarsanakumar, C.
    JOURNAL OF MOLECULAR STRUCTURE, 2015, 1081 : 366 - 374
  • [24] Spectroscopic (FT-IR, FT-Raman, UV, 1H and 13C NMR) profiling and theoretical calculations of (2E)-2-[3-(1H-imidazol-1-yl)-1-phenylpropylidene]hydrazinecarboxamide: An anticonvulsant agent
    Haress, Nadia G.
    Govindarajan, Munusamy
    AL-Wabli, Reem I.
    Almutairi, Maha S.
    Al-Alshaikh, Monirah A.
    Al-Saadi, Abdulaziz A.
    Attia, Mohamed I.
    JOURNAL OF MOLECULAR STRUCTURE, 2016, 1118 : 219 - 232
  • [25] Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman), first-order hyperpolarizability, NBO and HOMO-LUMO analysis of S-S-2 methylamino-l-phenyl propan-1-ol
    Ramachandran, G.
    Muthu, S.
    Renuga, S.
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2013, 107 : 386 - 398
  • [26] Vibrational spectroscopic (FT-IR, FT-Raman) and quantum mechanical study of 4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno[3,2-f] [1,2,4] triazolo[4,3-a][1,4] diazepine
    Kuruvilla, Tintu K.
    Prasana, Johanan Christian
    Muthu, S.
    George, Jacob
    JOURNAL OF MOLECULAR STRUCTURE, 2018, 1157 : 519 - 529
  • [27] Synthesis, spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2(2-Hydroxyphenyl)-N-(4-Methylphenyl) Nitrone
    Sheela, N. R.
    Sampathkrishnan, S.
    Kumar, M. Thirumalai
    Muthu, S.
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2013, 109 : 272 - 281
  • [28] Molecular structure, spectroscopic studies (FTIR, FT-Raman and NMR) and HOMO-LUMO analysis of 6-chloro-o-cresol and 4-chloro-3-methyl phenol by density functional theoretical study
    Krishnakumar, V.
    Kumar, M.
    Prabavathi, N.
    Mathammal, R.
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2012, 97 : 144 - 154
  • [29] Vibrational spectroscopic studies (FT-IR, FT-Raman) and quantum chemical calculations on 5-(Adarnantan-1-yl)-3-[(4-fluoroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, a potential chemotherapeutic agent
    Al-Abdullah, Ebtehal S.
    Sebastian, Sr. S. H. Roseline
    Al-Wabli, Reem I.
    El-Emam, Ali A.
    Panicker, C. Yohannan
    Van Alsenoy, Christian
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2014, 133 : 605 - 618
  • [30] Quantum mechanical calculations and spectroscopic (FT-IR, FT-Raman and UV) investigations, molecular orbital, NLO, NBO, NLMO and MESP analysis of 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl] benzene-1-sulfonamide
    Govindasamy, P.
    Gunasekaran, S.
    JOURNAL OF MOLECULAR STRUCTURE, 2015, 1081 : 96 - 109
12345