Any queries (other than missing content) should be directed to the corresponding author for the article. Except where otherwise noted, data are given for materials in their, https://en.wikipedia.org/w/index.php?title=Ammonia_borane&oldid=981351867, Creative Commons Attribution-ShareAlike License, This page was last edited on 1 October 2020, at 19:57. Mechanistic insights into tandem amine-borane dehydrogenation and alkene hydrogenation catalyzed by [Pd(NHC)(PCy3)]. Thermodynamic and thermal properties . Crossref. Dehydrocyclization of diamine borane and amine-borane alcohol catalyzed by 1-lithio-2-alkyl-1,2-dihydropyridine and its Na & K analogues: A DFT analysis of the reaction mechanism. Density. The facile occurrence of the dehydrogenation of AB was demonstrated by the low activation barriers of the rate‐determining step. Lower densities were measured for polycrystalline pellets (0.73 g cm −3) and were determined from powder XRD (0.74 g cm −3 for the tetragonal phase , , , , and 0.7799 g cm −3 for the orthorhombic one ). The catalytic dehydrogenation mechanism of ammonia borane (NH 3 BH 3, AB) by Ni N‐heterocyclic carbene (NHC) complexes has been investigated by density functional theory. DFT studies of dehydrogenation of ammonia–borane catalyzed by [Ir(ItBu′)2]+: A proton transfer mechanism. Click to predict properties on the Chemicalize site, For medical information relating to Covid-19, please consult the, ACD/Labs Percepta Platform - PhysChem Module, Compounds with the same molecular formula, Search Google for structures with same skeleton.
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It was found that the intramolecular pathway is mostly kinetically favorable with lower activation barrier of 15.51 kcal/mol than the intermolecular pathway. Ammonia borane (also systematically named amminetrihydridoboron), also called borazane, is the chemical compound with the formula H 3 NBH 3.The colourless or white solid is the simplest molecular boron-nitrogen-hydride compound. Borane tert-butylamine complex is prepared by the reaction of sodium borohydride with t-butylammonium chloride. The catalytic dehydrogenation mechanism of ammonia borane (NH3BH3, AB) by Ni N‐heterocyclic carbene (NHC) complexes has been investigated by density functional theory. The B−N distance is 1.58(2) Å. Moreover, for intermolecular dehydrogenation of AB, the activation prefers to take place at monocarbene Ni(NHC) catalyst. The H atoms attached to boron are hydridic and those attached to nitrogen are somewhat acidic. E‐mail: yowang@suda.edu.cn; weiliu@suda.edu.cn. Variations are also possible for the boron component, although primary and secondary boranes are less common.[8]. Working off-campus? Two possible mechanisms of the dehydrogenation of NH3BH3 have been theoretically studied: intramolecular reaction at Ni dicarbene and intermolecular reaction at Ni monocarbene and dicarbene. Hydrogen release from ammonia borane is mediated by either hydrolysis, thus giving borate products that are difficult to rereduce, or direct dehydrogenation. Ammonia borane is the main product when an adduct of borane is employed in place of diborane:[1]. Learn about our remote access options, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, No. CopyCopied, WZMUUWMLOCZETI-UHFFFAOYSA-N
Synthesis and Application of Organoboron Compounds. Please check your email for instructions on resetting your password. The B−H and N−H distances are 1.15 and 0.96 Å, respectively. and CO 199 Ren'ai Road, Suzhou 215123, China. and you may need to create a new Wiley Online Library account. Its similarity to ethane is tenuous since ammonia borane is a solid and ethane is a gas: their melting points differing by 284 °C. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Ye Peng, Teng Ben, Yi Jia, Dongjiang Yang, Huijun Zhao, Shilun Qiu, Xiangdong Yao, Dehydrogenation of Ammonia Borane Confined by Low-Density Porous Aromatic Framework, The Journal of Physical Chemistry C, 10.1021/jp308066e, 116, 49, (25694-25700), (2012). However, in the absence of a straightforward, efficient method for regenerating AB from dehydrogenated polymeric spent fuel, its full potential as a viable H2 storage material will not be realized.