The colourless or white solid is the simplest molecular boron-nitrogen-hydride compound. 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). CopyCopied, CSID:371215, http://www.chemspider.com/Chemical-Structure.371215.html (accessed 04:24, Nov 27, 2020) Mechanism for Forming B,C,N,O Rings from NH Ammonia borane is the main product when an adduct of borane is employed in place of diborane:[1]. Ammonia-borane dehydrogenation catalyzed by Iron pincer complexes: A concerted metal-ligand cooperation 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. Ammonia borane, isoelectronic with ethane, is a solid at room temperature, stable in air and water and contains 190 g/kg (100–140 g/L) hydrogen. 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. This difference is consistent with the highly polar nature of ammonia borane. 199 Ren'ai Road, Suzhou, 215123 China. It has attracted attention as a source of hydrogen fuel, but is otherwise primarily of academic interest. The closest H−H distance is 1.990 Å, which can be compared with the H−H bonding distance of 0.74 Å. First-Principles Study of Intrinsic Defects in Ammonia Borane. E‐mail: yowang@suda.edu.cn; weiliu@suda.edu.cn. CopyCopied, WZMUUWMLOCZETI-UHFFFAOYSA-N Bonding in ammonia borane: an analysis based on the natural orbitals for chemical valence and the extended transition state method (ETS-NOCV). Borane tert-butylamine complex is prepared by the reaction of sodium borohydride with t-butylammonium chloride. Author information: (1)Department of Theoretical Chemistry, Faculty of Chemistry, Jagiellonian University, R. Ingardena 3, 30-060 Cracow, Poland. 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. [6], Ammonia borane finds some use in organic synthesis as an air-stable derivative of diborane.[7]. Generally adduct are more robust with more basic amines. Thermodynamic and thermal properties . Number of times cited according to CrossRef: DFT studies on the Ru-Catalyzed hydrolysis ofAmmonia Borane. CopyCopied, Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module. No predicted properties have been calculated for this compound. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. 199 Ren'ai Road, Suzhou 215123, China. [5] It is more hydrogen-dense than liquid hydrogen and also able to exist at normal temperatures and pressures. for when the gas is used to fuel motor vehicles. The Catalytic Dehydrocoupling of Amine–Boranes and Phosphine–Boranes. 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. Published by Elsevier B.V. Mechanistic insights into tandem amine-borane dehydrogenation and alkene hydrogenation catalyzed by [Pd(NHC)(PCy3)]. Density. Crossref. The B−H and N−H distances are 1.15 and 0.96 Å, respectively. and you may need to create a new Wiley Online Library account. Any queries (other than missing content) should be directed to the corresponding author for the article. Learn about our remote access options, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, No.

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