Synthesis, Structure, and Thermoelastic Properties of LiSn2Br3(CN2) and Sn4Br2(CN2)(3)
OPEN ACCESS
Loading...
Author / Producer
Date
2021-11-25
Publication Type
Journal Article
ETH Bibliography
yes
Citations
Altmetric
OPEN ACCESS
Data
Abstract
Tin carbodiimides have been reported with various compositions, prepared via solid-state metathesis reactions by heating tin halides and lithium carbodiimide at moderate temperatures. The formations of two new compounds, LiSn2Br3(CN2) and Sn4Br2(CN2)(3) are monitored by differential thermal analysis (DTA), and crystal structures are reported as refined on basis of X-ray diffraction studies. The structure of LiSn2Br3(CN2) can be described by two interpenetrating frameworks of corner-linked coordination polyhedra, raising the possibility of negative thermal expansion (NTE) as investigated by density functional perturbation theory (DFPT). Like some previously reported tin carbodiimide compounds, LiSn2Br3(CN2) was also found to be a semiconductor with an indirect band gap of 2.5 eV, as determined by DFT calculations.
Permanent link
Publication status
published
External links
Editor
Book title
Journal / series
Volume
2021 (44)
Pages / Article No.
4572 - 4578
Publisher
Wiley
Event
Edition / version
Methods
Software
Geographic location
Date collected
Date created
Subject
Carbodiimide; DFPT; DTA; Solid-State Reaction; Tin
Organisational unit
Notes
Funding
101030352 - Phonon Magnetic Moments and Angular Momentum in Flexible Framework Materials (EC)