The role of 'ideal' and 'real' crystal structure in the solid-state decomposition of silver oxalate: Experimental diffraction studies and theoretical calculations

被引：15
|
作者：
Naumov, DY
Boldyreva, EV
Podberezskaya, NV
Howard, JAK
机构：
[1] Russian Acad Sci, Inst Solid State Chem SD, Novosibirsk 630128, Russia
[2] Novosibirsk State Univ, Novosibirsk 630090, Russia
[3] Russian Acad Sci, Inst Inorgan Chem SD, Novosibirsk 630090, Russia
[4] Univ Durham, Dept Chem, Sci Labs, Durham DH1 3LE, England
来源：
SOLID STATE IONICS | 1997年 / 101卷
关键词：
silver oxalate; crystal structure; solid-state decomposition; Cambridge Structural Database; ab initio calculations;
D O I：
10.1016/S0167-2738(97)00392-5
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The results of a single-crystal structure solution and refinement for silver oxalate are reported. Possible anion-anion, cation-cation and anion-cation interactions in the crystal and their role in the solid-state decomposition are discussed on the basis of (i) a detailed analysis of the Ag2C2O4 crystal structure, (ii) a statistical analysis of data from Cambridge Structural Database and (iii) ab initio calculations. The role of interstitial silver cations in the decomposition of silver oxalate is also considered from a structural point of view.
引用
收藏
页码：1315 / 1320
页数：6
相关论文
共 50 条
  • [1] Role of `ideal' and `real' crystal structure in the solid-state decomposition of silver oxalate: Experimental diffraction studies and theoretical calculations
    Inst of Solid State Chemistry SD RAS, Novosibirsk, Russia
    Solid State Ionics, pt 2 (1315-1320):
  • [2] CRYSTAL STRUCTURE PREDICTIONS IN ASSISTANCE TO EXPERIMENTAL STUDIES OF SOLID-STATE PHENOMENA AND PROCESSES
    Dzyabchenko, A.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2002, 58 : C263 - C263
  • [3] Crystal structure, solid-state NMR studies and IGLO calculations of 1-hydroxycyclohexanephosphonic acid
    Ohms, G
    Kruger, K
    Rabis, A
    Kaiser, V
    PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 1996, 114 (1-4): : 75 - 81
  • [4] Revisiting the crystal structure of dickite: X-ray diffraction, solid-state NMR, and DFT calculations study
    Rocha, Joao
    Almeida Paz, Filipe A.
    Sardo, Mariana
    Mafra, Luis
    AMERICAN MINERALOGIST, 2018, 103 (05) : 812 - 818
  • [5] Solid-state NMR studies and crystal structure of the Lawesson-reagent
    Grossmann, G
    Ohms, G
    Kruger, K
    Jeschke, G
    PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 1995, 107 (1-4) : 57 - 68
  • [6] Structure of melaminium dihydrogenpyrophosphate and its formation from melaminium dihydrogenphosphate studied with powder diffraction data, solid-state NMR, and theoretical calculations
    Brodski, V
    Peschar, R
    Schenk, H
    Brinkmann, A
    van Eck, ERH
    Kentgens, APM
    Coussens, B
    Braam, A
    JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (39): : 15069 - 15076
  • [7] THEORETICAL AND EXPERIMENTAL STUDIES OF THE COLLIDING-PULSE OPERATING MODE FOR SOLID-STATE LASERS
    DEMCHUK, MI
    KALOSHA, VP
    MIKHAILOV, VP
    MANICHEV, IA
    KVANTOVAYA ELEKTRONIKA, 1990, 17 (02): : 222 - 227
  • [8] Salicylamide Cocrystals: Screening, Crystal Structure, Sublimation Thermodynamics, Dissolution, and Solid-State DFT Calculations
    Manin, Alex N.
    Voronin, Alexander P.
    Manin, Nikolay G.
    Vener, Mikhail V.
    Shishkina, Anastasia V.
    Lermontov, Anatoly S.
    Perlovich, German L.
    JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 118 (24): : 6803 - 6814
  • [9] Crystal structure, PIXEL calculations of intermolecular interaction energies and solid-state characterization of the herbicide isoxaflutole
    Schinke, Jascha
    Gelbrich, Thomas
    Griesser, Ulrich J.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2022, 78 : 979 - +
  • [10] PHOTOCHEMICAL STUDIES .71. PHOTOSTABILITY STUDIES IN SOLID-STATE AND CRYSTAL-STRUCTURE OF MIFEPRISTONE
    REISCH, J
    ZAPPEL, J
    RAO, ARR
    HENKEL, G
    ARCHIV DER PHARMAZIE, 1994, 327 (12) : 809 - 811
12345