Diisopropylammonium Bromide

Abstract

(1974, Vol. IV) 1.486 (6) C(I 2)---<2 (13) 1.517 (6) C(12)---C(14)1.526 (6)110.9 Symmetry codes: (i) x, 1 + y, ½,½-z;(iv) x-l,Y,Z. CAMERON (Pearce & Watkin, 1993). Software used to prepare material for publication: CRYSTALS.HRP wishes to thank the CCDC and the University Chemical Laboratories, Cambridge, for the use of X-ray diffraction and computing facilities.Lists of structure factors, anisotropic displacement parameters, Hatom coordinates and complete geometry have been deposited with the IUCr (Reference: HU1140). (Received 20 December 1995; accepted 22 March 1996) Abstract In the title compound, C6H16N+.Br -, each diisopropylammonium cation interacts with the bromide anion via two hydrogen bonds leading to an infinite onedimensional chain of molecules in the crystal. The cation has an approximate twofold axis of symmetry. CommentDiisopropylammonium bromide (I) was obtained in the course of studying the reaction of BrRe(CO)5 with lithium diall~lamides with the intention of generating lithium carbamoylmetallates as precursors for amino-

Room-temperature ferroelectricity in diisopropylammonium bromide

“…Initially, the closely related bromine analog, diisopropylammonium bromide (DPB), had seemed to be a good candidate to exhibit polar properties in the room temperature phase, however, further research indicated that the phase situation and a rich polymorphism of DPB appeared to be quite complicated. Two polymorphs of DPB are known at room temperature: monoclinic P2 1 6 and orthorhombic P2 1 2 1 2 1 . 7 The crystal structure of the latter polymorph (abbreviated in this paper as O) was presented as a private communications by G. J. Reiss.…”

“…7 The monoclinic polymorph was obtained accidentally during the reaction of BrRe(CO) 5 and lithium diisopropylamide. 6 It undergoes an irreversible PT below room temperature to the monoclinic phase (P2 1 /n). 8 In turn, O presented in this paper was obtained during the reaction of HBr and diisopropylamine and did not disclose any PTs below room temperature.…”

“…The second polymorph is isomorphic to the crystal of DPB obtained as reported in ref. 6. The key difference between polymorph O and M(II) is the mutual orientation of the neighboring hydrogen bonded chains.…”

Synthesis and crystal structure of a new polymorph of diisopropylammonium trichloroacetate, C8H16Cl3NO2

“…Generally, the structural chemistry of simple dipH salts dates back in the ninetys of the last century [18]. The dipH halogenides and some other directly related salt structures, which were characterized, all feature hydrogen bonded chains [19][20][21][22][23][24][25][26][27].…”

First-Principles Calculation of Physical Tensors of α-Diisopropylammonium Bromide (α-DIPAB) Molecular Ferroelectric Crystal

“…It has been reported that diisopropylammonium bromide (DIPAB) crystallizes into a room-temperature ferroelectric phase branded as P2 1 (α-DIPAB) and a high temperature paraelectric phase categorized as P2 1/m (β) [7]. X-ray diffraction (XRD) structural characterization indicates that P2 1 (α-DIPAB) belongs to polar point group C 2 [8] illustrated schematically in Figure 1A. In contrast, at high temperature P2 1/m (β) has a crystal structure with a non-polar point group D 2 shown schematically in Figure 1B.…”