1981
DOI: 10.1515/zna-1981-0906
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On the Order-Disorder Phase Transformation of Anilinium Halides. III.

Abstract: The crystal structure of the high temperature phase of anilinium bromide, CeH5NH3®Br e , was studied by X-ray and neutron diffraction at T = 343 K. The refinement supports disordered positions of the -NH3® group. A split-atom model is proposed which includes disorder of the benzene ring. The thermal parameters, hydrogen bond distances, and other experimental data (NMR, NQR, inelastic neutron scattering) are in accordance with this model.

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Cited by 19 publications
(3 citation statements)
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“…The room tem perature data belong in all cases to the high tem perature phase I of the compounds. From the crystal structure determination of C6H5NH®Ie (phase I and phase II) [2][3][4] and from the crystal structures of 4-FC6H4N H l r (phase I and phase II) [10] we find, that in phase I of these compounds the group -NH® performs a hindered rotation, occu pying thereby two distinct positions in the lattice. From the 127I NQR study of all other compounds we conclude that a similar mechanism is valid for them in phase I too.…”
Section: -(Ch3)c6h4nd®316mentioning
confidence: 99%
See 1 more Smart Citation
“…The room tem perature data belong in all cases to the high tem perature phase I of the compounds. From the crystal structure determination of C6H5NH®Ie (phase I and phase II) [2][3][4] and from the crystal structures of 4-FC6H4N H l r (phase I and phase II) [10] we find, that in phase I of these compounds the group -NH® performs a hindered rotation, occu pying thereby two distinct positions in the lattice. From the 127I NQR study of all other compounds we conclude that a similar mechanism is valid for them in phase I too.…”
Section: -(Ch3)c6h4nd®316mentioning
confidence: 99%
“…In case of R=C6Hs a ferroelastic phase transition occurs for both the anilinium bromide and the anilinium iodide and this transition was followed up by 9 slBr and 12 I nuclear quadrupole resonance (NQR) [1]. The crystal structures of both the high and low temperature phases of C6H5N H 3X (X = Br, I) were studied by X-ray and neutron diffraction [2][3][4] by NQR [5], In detail we have studied the influence of a substituent at the para position of the anilinium ion. Phase transitions have been observed in 4-ClC6H4N H fle [6], and in 4-FC6H4N H ?X e , 4-(C2H5)C6H4N H ?X e (X = Br.…”
Section: Introductionmentioning
confidence: 99%
“…In the foregoing paper [9] the crystal structure of the orthorhombic high temperature phase I of anilinium bromide is described, including the positional parameters of the hydrogen atoms and the disorder of the whole cation C6H5NH3®. There is a very recent determination of the monoclinic structure of the low temperature phase II by Sakai and Terauchi [10].…”
Section: Introductionmentioning
confidence: 99%