Mechanistic Investigation on the Formation and Dehydrogenation of Calcium Amidoborane Ammoniate

	Mechanistic Investigation on the Formation and Dehydrogenation of Calcium Amidoborane Ammoniate
	Chua, Yong Shen 1,2; Li, Wen 3; Shaw, Wendy J.4; Wu, Guotao 1; Autrey, Tom 4; Xiong, Zhitao 1; Wong, Ming Wah 2; Chen, Ping 1
刊名	chemsuschem
	2012
卷号	5 期号:5 页码:927-931
关键词	ab initio calculations boranes dehydrogenation isotopic labeling reaction mechanisms
通讯作者	吴国涛 ; 熊智涛
产权排序	1,1
英文摘要	possessing high h2 capacities and interesting dehydrogenation behavior, metal amidoborane ammoniates were prepared by reacting ca(nh2)2, mgnh, and linh2 with ammonia borane to form ca(nh2bh3)(2).2?nh3, mg(nh2bh3)(2).nh3, and li(nh2bh3)(2).nh3 (liab.nh3). insight into the mechanisms of amidoborane ammoniate formation and dehydrogenation was obtained by using isotopic labeling techniques. selective 15n and 2h labeling showed that the formation of the ammoniate occurs via the transfer of one h(n) from ammonia borane to the [nh2]- unit in ca(nh2)2 giving rise to nh3 and [nh2bh3]-. supported by theoretical calculations, it is suggested that the improved dehydrogenation properties of metal amidoborane ammoniates compared to metal amidoboranes are a result of the participation of a strong dihydrogen bond between the nh3 molecule and [nh2bh3]-. our study elucidates the reaction pathway involved in the synthesis and dehydrogenation of ca(nh2bh3)(2).2?nh3, and clarifies our understanding of the role of nh3, that is, it is not only involved in stabilizing the structure, but also in improving the dehydrogenation properties of metal amidoboranes.
学科主题	物理化学
WOS标题词	science & technology ; physical sciences
类目[WOS]	chemistry, multidisciplinary
研究领域[WOS]	chemistry
关键词[WOS]	hydrogen storage material ; metal amidoboranes ; lithium hydride ; release ; amidotrihydroborate ; alkali ; energy
收录类别	SCI
语种	英语
WOS记录号	WOS:000303854800016
公开日期	2013-10-11
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/118200]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	1.Dalian Inst Chem Phys, Dalian 116023, Peoples R China 2.Natl Univ Singapore, Dept Chem, Singapore 117542, Singapore 3.Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore 4.Pacific NW Natl Lab, Richland, WA 99354 USA
推荐引用方式 GB/T 7714	Chua, Yong Shen,Li, Wen,Shaw, Wendy J.,et al. Mechanistic Investigation on the Formation and Dehydrogenation of Calcium Amidoborane Ammoniate[J]. chemsuschem,2012,5(5):927-931.
APA	Chua, Yong Shen.,Li, Wen.,Shaw, Wendy J..,Wu, Guotao.,Autrey, Tom.,...&Chen, Ping.(2012).Mechanistic Investigation on the Formation and Dehydrogenation of Calcium Amidoborane Ammoniate.chemsuschem,5(5),927-931.
MLA	Chua, Yong Shen,et al."Mechanistic Investigation on the Formation and Dehydrogenation of Calcium Amidoborane Ammoniate".chemsuschem 5.5(2012):927-931.