Synthesis, structure and the dehydrogenation mechanism of calcium amidoborane hydrazinates

doi:10.1039/c5cp04257g

	Synthesis, structure and the dehydrogenation mechanism of calcium amidoborane hydrazinates
	Li, Zhao 1,3; He, Teng 3; Wu, Guotao 3; Chen, Weidong 1,3; Chua, Yong Shen 4; Guo, Jianping 1; Xie, Dong 3; Ju, Xiaohua 3; Chen, Ping 2,3
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2016-01-07
卷号	18 期号:1 页码:244-251
ISSN号	1463-9076
DOI	10.1039/c5cp04257g
文献子类	Article
英文摘要	The calcium amidoborane hydrazinates, Ca(NH2BH3)(2)center dot nN(2)H(4), were firstly synthesized by reacting different molar ratios of Ca(NH2BH3)(2) and N2H4. In particular, Ca(NH2BH3)(2) and N2H4 with a molar ratio of 1: 2 crystallizes into the orthorhombic symmetry P2(1)2(1)2(1) space group with the lattice parameters of a = 6.6239(4) angstrom, b = 13.7932(6) angstrom, c = 4.7909(2) angstrom. The dehydrogenations of calcium amidoborane hydrazinates are two-step reactions, exhibiting superior dehydrogenation properties compared with those of pristine Ca(NH2BH3)(2). For Ca(NH2BH3)(2)-1/2N(2)H(4), approximately 4.6 equiv. hydrogen (or 7.9 wt% hydrogen) can be released at 150 degrees C. Kinetic analysis shows that the activation energies for the two steps of hydrogen desorption from Ca(NH2BH3)(2)center dot 2N(2)H(4), are much lower than those of pristine Ca(NH2BH3)(2), suggesting an improvement in the dehydrogenation kinetics of Ca(NH2BH3)(2) after coordinating with N2H4. Isotopic labeling results show that the driving force for the dehydrogenation of calcium amidoborane hydrazinates is the combination mechanism of protonic hydrogen and hydridic hydrogen (H-delta+ and H delta-). In addition, initial H-2 release from calcium amidoborane hydrazinates originates from the interaction of [-BH3] and N2H4, rather than [-BH3] and [-NH2] (in [-NH2BH3]).
WOS关键词	HYDROGEN-STORAGE PROPERTIES ; AMMONIA-BORANE ; AMINE-BORANES ; LITHIUM AMIDOBORANE ; RELEASE ; ALKALI ; DECOMPOSITION ; ENERGY ; HYDRAZINIDOBORANE ; REGENERATION
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000368755500026
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/171344]
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
通讯作者	He, Teng; Chen, Ping
作者单位	1.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 2.Chinese Acad Sci, State Key Lab Catalysis, Dalian Inst Chem Phys, Dalian 116023, Peoples R China 3.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian Natl Lab Clean Energy, 457 Zhongshan Rd, Dalian 116023, Peoples R China 4.Univ Sains Malaysia, Sch Chem Sci, George Town 11800, Malaysia
推荐引用方式 GB/T 7714	Li, Zhao,He, Teng,Wu, Guotao,et al. Synthesis, structure and the dehydrogenation mechanism of calcium amidoborane hydrazinates[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18(1):244-251.
APA	Li, Zhao.,He, Teng.,Wu, Guotao.,Chen, Weidong.,Chua, Yong Shen.,...&Chen, Ping.(2016).Synthesis, structure and the dehydrogenation mechanism of calcium amidoborane hydrazinates.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,18(1),244-251.
MLA	Li, Zhao,et al."Synthesis, structure and the dehydrogenation mechanism of calcium amidoborane hydrazinates".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.1(2016):244-251.