User menu

Accès à distance ? S'identifier sur le proxy UCLouvain

Na[Li(NH2BH3)(2)] - the first mixed-cation amidoborane with unusual crystal structure

Primary tabs

Fijalkowski, Karol J. [University of Warsaw (Poland)] Genova, Radostina V. [University of Warsaw (Poland)] Filinchuk, Yaroslav [UCL] Budzianowski, Armand [University of Warsaw (Poland)] Derzsi, Mariana [University of Warsaw (Poland)] Grochala, Wojciech [University of Warsaw (Poland)]

We describe the successful synthesis of the first mixed-cation (pseudoternary) amidoborane, Na[Li(NH2BH3)(2)], with theoretical hydrogen capacity of 11.1 wt%. Na[Li(NH2BH3)(2)] crystallizes triclinic (P (1) over bar ) with a = 5.0197(4) angstrom, b = 7.1203(7) angstrom, c = 8.9198(9) angstrom, alpha = 103.003(6)degrees, beta = 102.200(5)degrees, gamma = 103.575(5)degrees, and V = 289.98(5) angstrom(3) (Z = 2), as additionally confirmed by Density Functional Theory calculations. Its crystal structure is topologically different from those of its orthorhombic LiNH2BH3 and NaNH2BH3 constituents, with distinctly different coordination spheres of Li (3 N atoms and 1 hydride anion) and Na (6 hydride anions). Na[Li(NH2BH3)(2)], which may be viewed as a product of a Lewis acid (LiNH2BH3)/Lewis base (NaNH2BH3) reaction, is an important candidate for a novel lightweight hydrogen storage material. The title material decomposes at low temperature (with onset at 75 degrees C, 6.0% mass loss up to 110 degrees C, and an additional 3.0% up to 200 degrees C) while evolving hydrogen contaminated with ammonia.

Document type Article de périodique (Journal article) – Article de recherche
Access type Accès restreint
Publication date 2011
Language Anglais
Journal information "Dalton Transactions: the international journal for inorganic, organometallic and bioinorganic chemistry" - Vol. 40, no. 17, p. 4407-4413 (2011)
Peer reviewed yes
Publisher Royal Society of Chemistry
issn 1477-9226
Publication status Publié
Affiliation UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity
Links
  1. Shore Sheldon G., Parry Robert W., THE CRYSTALLINE COMPOUND AMMONIA-BORANE,1H3NBH3, 10.1021/ja01627a103
  2. Baumann J., Baitalow F., Wolf G., Thermal decomposition of polymeric aminoborane (H2BNH2)x under hydrogen release, 10.1016/j.tca.2004.12.002
  3. Hamilton Charles W., Baker R. Tom, Staubitz Anne, Manners Ian, B–N compounds for chemical hydrogenstorage, 10.1039/b800312m
  4. Jiang  Hai-Long, Singh  Sanjay Kumar, Yan  Jun-Min, Zhang Xin-Bo, Xu Qiang, Liquid-Phase Chemical Hydrogen Storage: Catalytic Hydrogen Generation under Ambient Conditions, 10.1002/cssc.201000023
  5. Schlesinger H. I., Burg Anton B., Hydrides of Boron. VIII. The Structure of the Diammoniate of Diborane and its Relation to the Structure of Diborane, 10.1021/ja01269a020
  6. Myers Andrew G., Yang Bryant H., David Kopecky J., Lithium amidotrihydroborate, a powerful new reductant. Transformation of tertiary amides to primary alcohols, 10.1016/0040-4039(96)00652-1
  7. Xiong Zhitao, Yong Chaw Keong, Wu Guotao, Chen Ping, Shaw Wendy, Karkamkar Abhi, Autrey Thomas, Jones Martin Owen, Johnson Simon R., Edwards Peter P., David William I. F., High-capacity hydrogen storage in lithium and sodium amidoboranes, 10.1038/nmat2081
  8. Xiong Zhitao, Wu Guotao, Chua Yong Shen, Hu Jianjiang, He Teng, Xu Weiliang, Chen Ping, Synthesis of sodium amidoborane (NaNH2BH3) for hydrogen production, 10.1039/b805649h
  9. Fijałkowski Karol J., Grochala Wojciech, Substantial emission of NH3 during thermal decomposition of sodium amidoborane, NaNH2BH3, 10.1039/b813773k
  10. Diyabalanage Himashinie V. K., Nakagawa Tessui, Shrestha Roshan P., Semelsberger Troy A., Davis Benjamin L., Scott Brian L., Burrell Anthony K., David William I. F., Ryan Kate R., Jones Martin Owen, Edwards Peter P., Potassium(I) Amidotrihydroborate: Structure and Hydrogen Release, 10.1021/ja100167z
  11. Zhang Qingan, Tang Chunxia, Fang Chunheng, Fang Fang, Sun Dalin, Ouyang Liuzhang, Zhu Min, Synthesis, Crystal Structure, and Thermal Decomposition of Strontium Amidoborane, 10.1021/jp9097233
  12. Diyabalanage Himashinie V. K., Shrestha Roshan P., Semelsberger Troy A., Scott Brian L., Bowden Mark E., Davis Benjamin L., Burrell Anthony K., Calcium Amidotrihydroborate: A Hydrogen Storage Material, 10.1002/anie.200702240
  13. Spielmann Jan, Jansen Georg, Bandmann Heinz, Harder Sjoerd, Calcium Amidoborane Hydrogen Storage Materials: Crystal Structures of Decomposition Products, 10.1002/anie.200802037
  14. Genova Radostina V., Fijalkowski Karol J., Budzianowski Armand, Grochala Wojciech, Towards Y(NH2BH3)3: Probing hydrogen storage properties of YX3/MNH2BH3 (X=F, Cl; M=Li, Na) and YHx∼3/NH3BH3 composites, 10.1016/j.jallcom.2010.03.182
  15. Chua Yong Shen, Wu Guotao, Xiong Zhitao, Karkamkar Abhi, Guo Jianping, Jian Mingxian, Wong Ming Wah, Autrey Thomas, Chen Ping, Synthesis, structure and dehydrogenation of magnesium amidoborane monoammoniate, 10.1039/c0cc01260b
  16. Zhang Yu, Shimoda Keiji, Ichikawa Takayuki, Kojima Yoshitsugu, Activation of Ammonia Borane Hybridized with Alkaline−Metal Hydrides: A Low-Temperature and High-Purity Hydrogen Generation Material, 10.1021/jp105483a
  17. Uribe Francisco A., Gottesfeld Shimshon, Zawodzinski Thomas A., Effect of Ammonia as Potential Fuel Impurity on Proton Exchange Membrane Fuel Cell Performance, 10.1149/1.1447221
  18. Rajalakshmi N., Jayanth T.T., Dhathathreyan K.S., Effect of Carbon Dioxide and Ammonia on Polymer Electrolyte Membrane Fuel Cell Stack Performance, 10.1002/fuce.200330107
  19. Grochala Wojciech, Edwards Peter P., Thermal Decomposition of the Non-Interstitial Hydrides for the Storage and Production of Hydrogen, 10.1021/cr030691s
  20. Sørby M.H., Brinks H.W., Fossdal A., Thorshaug K., Hauback B.C., The crystal structure and stability of K2NaAlH6, 10.1016/j.jallcom.2005.08.010
  21. Jeloaica L., Zhang J., Cuevas F., Latroche M., Raybaud P., Thermodynamic Properties of Trialkali (Li, Na, K) Hexa-alanates: A Combined DFT and Experimental Study, 10.1021/jp804652a
  22. Wang Fenghuai, Liu Yongfeng, Gao Mingxia, Luo Kun, Pan Hongge, Wang Qidong, Formation Reactions and the Thermodynamics and Kinetics of Dehydrogenation Reaction of Mixed Alanate Na2LiAlH6, 10.1021/jp9011697
  23. Nickels E. Anne, Jones Martin Owen, David William I. F., Johnson Simon R., Lowton Rebecca L., Sommariva Marco, Edwards Peter P., Tuning the Decomposition Temperature in Complex Hydrides: Synthesis of a Mixed Alkali Metal Borohydride, 10.1002/anie.200704949
  24. Hagemann Hans, Longhini Moïse, Kaminski Jakub W., Wesolowski Tomasz A., Černý Radovan, Penin Nicolas, Sørby Magnus H., Hauback Bjørn C., Severa Godwin, Jensen Craig M., LiSc(BH4)4: A Novel Salt of Li+and Discrete Sc(BH4)4−Complex Anions, 10.1021/jp803201q
  25. Filinchuk Yaroslav, Chernyshov Dmitry, Dmitriev Vladimir, Light metal borohydrides: crystal structures and beyond, 10.1524/zkri.2008.1021
  26. Hammersley A. P., Svensson S. O., Hanfland M., Fitch A. N., Hausermann D., Two-dimensional detector software: From real detector to idealised image or two-theta scan, 10.1080/08957959608201408
  27. Werner P. E., Eriksson L., Westdahl M., TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries, 10.1107/s0021889885010512
  28. Visser J. W., A fully automatic program for finding the unit cell from powder data, 10.1107/s0021889869006649
  29. Neumann Marcus A., X-Cell: a novel indexing algorithm for routine tasks and difficult cases, 10.1107/s0021889802023348
  30. Coelho A. A., Indexing of powder diffraction patterns by iterative use of singular value decomposition, 10.1107/s0021889802019878
  31. Pawley G. S., Unit-cell refinement from powder diffraction scans, 10.1107/s0021889881009618
  32. Le Bail A., Duroy H., Fourquet J.L., Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction, 10.1016/0025-5408(88)90019-0
  33. Bergmann J., Kleeberg R., Haase A., Breidenstein Bernd, Advanced Fundamental Parameters Model for Improved Profile Analysis, 10.4028/www.scientific.net/msf.347-349.303
  34. Boultif Ali, Louër Daniel, Powder pattern indexing with the dichotomy method, 10.1107/s0021889804014876
  35. Favre-Nicolin Vincent, Černý Radovan, FOX, `free objects for crystallography': a modular approach toab initiostructure determination from powder diffraction, 10.1107/s0021889802015236
  36. Spek, Acta Cryst. A, 46, C34 (1990)
  37. Rietveld H. M., Line profiles of neutron powder-diffraction peaks for structure refinement, 10.1107/s0365110x67000234
  38. Rietveld H. M., A profile refinement method for nuclear and magnetic structures, 10.1107/s0021889869006558
  39. Hill R. J., Howard C. J., Quantitative phase analysis from neutron powder diffraction data using the Rietveld method, 10.1107/s0021889887086199
  40. Blöchl P. E., Projector augmented-wave method, 10.1103/physrevb.50.17953
  41. Kresse G., Joubert D., From ultrasoft pseudopotentials to the projector augmented-wave method, 10.1103/physrevb.59.1758
  42. Jenkins H. Donald Brooke, Glasser Leslie, Standard Absolute Entropy, , Values from Volume or Density. 1. Inorganic Materials, 10.1021/ic030219p
  43. Žák Z., Kosička M., The crystal structure of lithium fluorosulphate LiSO3F, 10.1107/s0567740878002265
  44. Luedtke Avery T., Autrey Tom, Hydrogen Release Studies of Alkali Metal Amidoboranes, 10.1021/ic100119m
  45. Kang Xiangdong, Luo Junhong, Zhang Qingan, Wang Ping, Combined formation and decomposition of dual-metal amidoborane NaMg(NH2BH3)3for high-performance hydrogen storage, 10.1039/c0dt00835d
Bibliographic reference Fijalkowski, Karol J. ; Genova, Radostina V. ; Filinchuk, Yaroslav ; Budzianowski, Armand ; Derzsi, Mariana ; et. al. Na[Li(NH2BH3)(2)] - the first mixed-cation amidoborane with unusual crystal structure. In: Dalton Transactions: the international journal for inorganic, organometallic and bioinorganic chemistry, Vol. 40, no. 17, p. 4407-4413 (2011)
Permanent URL http://hdl.handle.net/2078/74572