Hydrogen-mediated affinity of ions found in compressed potassium amidoborane, K[NH2BH3]

被引:6
作者
Magos-Palasyuk, Ewelina [1 ]
Palasyuk, Taras [1 ]
Zaleski-Ejgierd, Patryk [1 ]
Fijalkowski, Karol [2 ]
机构
[1] Inst Phys Chem PAS, Warsaw, Poland
[2] Univ Warsaw, Ctr Novel Technol, PL-02089 Warsaw, Poland
关键词
AMMONIA-BORANE; STORAGE; LITHIUM; PRESSURE;
D O I
10.1039/c4ce01221f
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The paper reports on the experimental and theoretical investigation of bonding properties of potassium amidoborane, (K[NH2BH3]), which is one of the most promising compounds for hydrogen storage material among metallated derivatives of ammonia borane (NH3BH3). For this purpose, in situ Raman spectroscopy, synchrotron X-ray diffraction measurements and complementary ab initio calculations study have been performed under static pressure conditions in the range from ambient pressure up to 25 GPa. Unusual interplay between strong electrostatic and weak dispersive interactions has been revealed, resulting in experimental observation of pressure induced formation of relatively strong conventional hydrogen bonding between negatively charged molecular ions. This finding provides new insight for tailoring materials with desirable properties for various uses.
引用
收藏
页码:10367 / 10370
页数:4
相关论文
共 22 条
[11]   Pressure-tuned vibrational resonance coupling of intramolecular fundamentals in ammonium azide (NH4N3) [J].
Medvedev, S. A. ;
Palasyuk, T. ;
Trojan, I. A. ;
Naumov, P. G. ;
Evers, J. ;
Klapoetke, T. M. ;
Eremets, M. I. .
VIBRATIONAL SPECTROSCOPY, 2012, 58 :188-192
[12]   Pressure induced polymorphism in ammonium azide (NH4N3) [J].
Medvedev, S. A. ;
Eremets, M. I. ;
Evers, J. ;
Klapoetke, T. M. ;
Palasyuk, T. ;
Trojan, I. A. .
CHEMICAL PHYSICS, 2011, 386 (1-3) :41-44
[13]   High-pressure study of lithium amidoborane using Raman spectroscopy and insight into dihydrogen bonding absence [J].
Najiba, Shah ;
Chen, Jiuhua .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2012, 109 (47) :19140-19144
[14]   Materials for hydrogen storage: structure and dynamics of borane ammonia complex [J].
Parvanov, Vencislav M. ;
Schenter, Gregory K. ;
Hess, Nancy J. ;
Daemen, Luke L. ;
Hartl, Monika ;
Stowe, Ashley C. ;
Camaioni, Donald M. ;
Autrey, Tom .
DALTON TRANSACTIONS, 2008, (33) :4514-4522
[15]  
Pimentel G. C., 1960, The Hydrogen Bond
[16]   Structural and energetic analysis of the hydrogen storage materials LiNH2BH3 and NaNH2BH3 from ab initio calculations [J].
Ramzan, M. ;
Silvearv, F. ;
Blomqvist, A. ;
Scheicher, R. H. ;
Lebegue, S. ;
Ahuja, R. .
PHYSICAL REVIEW B, 2009, 79 (13)
[17]   First-Principles Calculations of Potassium Amidoborane KNH2BH3: Structure and 39K NMR Spectroscopy [J].
Shimoda, Keiji ;
Yamane, Aki ;
Ichikawa, Takayuki ;
Kojima, Yoshitsugu .
JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 116 (39) :20666-20672
[18]   THE CRYSTALLINE COMPOUND AMMONIABORANE, H3NBH3 [J].
SHORE, SG ;
PARRY, RW .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1955, 77 (22) :6084-6085
[19]   Ammonia-Borane and Related Compounds as Dihydrogen Sources [J].
Staubitz, Anne ;
Robertson, Alasdair P. M. ;
Manners, Ian .
CHEMICAL REVIEWS, 2010, 110 (07) :4079-4124
[20]   In situ solid state 11B MAS-NMR studies of the thermal decomposition of ammonia borane:: mechanistic studies of the hydrogen release pathways from a solid state hydrogen storage material [J].
Stowe, Ashley C. ;
Shaw, Wendy J. ;
Linehan, John C. ;
Schmid, Benjamin ;
Autrey, Tom .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2007, 9 (15) :1831-1836