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In situ Synchrotron X-ray Thermodiffraction of Boranes

Title: In situ Synchrotron X-ray Thermodiffraction of Boranes
Authors: Pascal G. Yot; Philippe Miele; Umit B. Demirci
Source: Crystals, Vol 6, Iss 2, p 16 (2016)
Publisher Information: MDPI AG
Publication Year: 2016
Collection: Directory of Open Access Journals: DOAJ Articles
Subject Terms: ammonia borane; hydrazine borane; hydrazine bisborane; hydrazinidoboranes; sodium triborane; synchrotron radiation X-ray powder thermodiffraction; Crystallography; QD901-999
Description: Boranes of low molecular weight are crystalline materials that have been much investigated over the past decade in the field of chemical hydrogen storage. In the present work, six of them have been selected to be studied by in situ synchrotron X-ray thermodiffraction. The selected boranes are ammonia borane NH3BH3 (AB), hydrazine borane N2H4BH3 (HB), hydrazine bisborane N2H4(BH3)2 (HBB), lithium LiN2H3BH3 (LiHB) and sodium NaN2H3BH3 (NaHB) hydrazinidoboranes, and sodium triborane NaB3H8 (STB). They are first investigated separately over a wide range of temperature (80–300 K), and subsequently compared. Differences in crystal structures, the existence of phase transition, evolutions of unit cell parameters and volumes, and variation of coefficients of thermal expansion can be observed. With respect to AB, HB and HBB, the differences are mainly explained in terms of molecule size, conformation and motion (degree of freedom) of the chemical groups (NH3, N2H4, BH3). With respect to LiHB, NaHB and STB, the differences are explained by a stabilization effect favored by the alkali cations via M···H interactions with four to five borane anions. The main results are presented and discussed herein.
Document Type: article in journal/newspaper
Language: English
Relation: http://www.mdpi.com/2073-4352/6/2/16; https://doaj.org/toc/2073-4352; https://doaj.org/article/9597d95696b5488ab29c149ec7558b4a
DOI: 10.3390/cryst6020016
Availability: https://doi.org/10.3390/cryst6020016; https://doaj.org/article/9597d95696b5488ab29c149ec7558b4a
Accession Number: edsbas.28B2E6F3
Database: BASE