Evidence for the Open Chain Structure of Ethane 1,2-Diamineborane

Kelly, Henry C.; Edwards, John O.

doi:10.1021/ic50005a062

Cited by 31 publications

(25 citation statements)

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“…The influence of the concentration of EDAB in THF in the range 3-25 g/L, which is within the solubility limit of EDAB in THF (46-47 g/L at 25 °C) [23], the temperature (308-318K) and the molar fraction of CO 2 in the CO 2 -THF fluid mixture (0.96-0.98) were studied.…”

Section: Methodsmentioning

confidence: 99%

Enhancement of hydrogen release kinetics from ethane 1,2 diamineborane (EDAB) by micronization using Supercritical Antisolvent (SAS) precipitation

Rueda

Sanz-Moral

Segovia

et al. 2016

Chemical Engineering Journal

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Ethane 1, 2 diamineborane (EDAB) was micronized from THF solutions using Supercritical Antisolvent (SAS) process. The influence of temperature, solute concentration and carbon dioxide fraction on the final properties of EDAB particles was studied. By SAS micronization, the original prismatic EDAB particles of about 400 µm with a crystallite size of 100 nm were converted into microspheres of less than 2 µm with a crystallite size of 50 nm. This reduction in the particle and grain sizes resulted in an improvement in thermal properties. The kinetics of release of hydrogen by thermolysis at 100ºC was also significantly enhanced due to the reduction in the diffusion length, reducing the time needed for the decomposition of the hydride by a factor of six. Moreover, a suppression of induction time was obtained by destabilization of the hydride after treatment. XRD and FTIR analyses showed that no chemical decomposition and no variation of the crystalline structure took place by SAS processing.

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Section: Methodsmentioning

confidence: 99%

Enhancement of hydrogen release kinetics from ethane 1,2 diamineborane (EDAB) by micronization using Supercritical Antisolvent (SAS) precipitation

Rueda

Sanz-Moral

Segovia

et al. 2016

Chemical Engineering Journal

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“…9 Neiner et al 7 reported the release of 10 wt% pure hydrogen from EDAB at a temperature less than 200 C in the two-step process. They reported the release of two equivalents of hydrogen within 110 C with prolonged heating and did not nd any volatile impurities during the dehydrogenation process.…”

Section: Introductionmentioning

confidence: 99%

Quantum chemical and experimental insights for the ionic liquid facilitated thermal dehydrogenation of ethylene diamine bisborane

et al. 2015

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The current work reports the judicial selection and subsequent dehydrogenation reaction with ionic liquid (IL) facilitated ethylene diamine bisborane (EDAB). Quantum chemical based COSMO-SAC (COnductor like Screening MOdel Segment Activity Coefficient) model was initially used to screen the ILs as available from Sigma Aldrich. LUMO-HOMO calculation was then performed to analyze the stability of EDAB/IL complexes. The molecular modeling studies converged on the two ILs, namely 1-ethyl-3-methyl imidazolium acetate ([EMIM][OAc]) and 1-butyl-3-methyl imidazolium acetate ([BMIM][OAc]), which were subsequently chosen for the dehydrogenation experiments. The thermal dehydrogenation of EDAB was carried out at 95 C and 105 C under vacuum so as to prevent generation of oxygen moieties. A total of 3.96 and 3.52 equivalents of hydrogen were released from the desorption of EDAB/[BMIM][OAc] and EDAB/[EMIM][OAc], respectively, at 105 C. The purity of released gas was confirmed by gas chromatographic analysis, while the catalytic activity of ILs was confirmed by 1 H NMR characterization of pure EDAB, ILs and EDAB/IL complexes both before and after the reaction. 11 B NMR analysis confirms the presence of trigonal boron (sp 2 ) BH 2 group as the only hydrogen containing boron moiety in dehydrogenated EDAB. Further, the two-stage release mechanism of EDAB was also verified by thermogravimetric analysis. High resolution mass spectrometry was able to detect the mass of cyclic repeat units in the polymeric chain containing an sp 2 BH 2 group. † Electronic supplementary information (ESI) available: The COSMO-SAC parameters and the sigma proles of EDAB, imidazolium cations and acetate anions. Further it also depicts the HOMO-LUMO energy gap of EDAB, [EMIM] [OAc] and [BMIM][OAc]. SeeFig. 8 Plot for 11 B NMR. (a) EDAB/[BMIM][OAc] before reaction, (b) EDAB/[BMIM][OAc] after reaction.This journal is

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“…In this work, we investigate the high temperature pyrolytic decomposition of a different amine-borane adduct, namely ethane 1,2-diamineborane (BH 3 NH 2 CH 2 CH 2 NH 2 BH 3 , EDAB hereafter). The synthesis of this compound was reported in the early 1960s through two paths, and its structural and vibrational properties were also investigated [ 13 , 14 , 15 ]. However, the thermolysis of EDAB has not been reported until recently.…”

Section: Introductionmentioning

confidence: 99%

Synthesis of Ternary Borocarbonitrides by High Temperature Pyrolysis of Ethane 1,2-Diamineborane

et al. 2015

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Ethane 1,2-diamineborane (EDAB) is an alkyl-containing amine-borane adduct with improved hydrogen desorption properties as compared to ammonia borane. In this work, it is reported the high temperature thermolytic decomposition of EDAB. Thermolysis of EDAB has been investigated by concomitant thermogravimetry-differential thermal analysis-mass spectrometry experiments. EDAB shows up to four H2 desorption events below 1000 °C. Small fractions of CH4, C2H4 and CO/CO2 are also observed at moderate-high temperatures. The solid-state thermolysis product has been characterized by means of different structural and chemical methods, such as X-ray diffraction, Raman spectroscopy, Scanning electron microscopy, Elemental analysis, and X-ray photoelectron spectroscopy (XPS). The obtained results indicate the formation of a ternary borocarbonitride compound with a poorly-crystalline graphitic-like structure. By contrast, XPS measurements show that the surface is rich in carbon and nitrogen oxides, which is quite different to the bulk of the material.

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Evidence for the Open Chain Structure of Ethane 1,2-Diamineborane

Cited by 31 publications

References 1 publication

Enhancement of hydrogen release kinetics from ethane 1,2 diamineborane (EDAB) by micronization using Supercritical Antisolvent (SAS) precipitation

Enhancement of hydrogen release kinetics from ethane 1,2 diamineborane (EDAB) by micronization using Supercritical Antisolvent (SAS) precipitation

Quantum chemical and experimental insights for the ionic liquid facilitated thermal dehydrogenation of ethylene diamine bisborane

Synthesis of Ternary Borocarbonitrides by High Temperature Pyrolysis of Ethane 1,2-Diamineborane

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