The structure of liquid bromine

We report neutron diffraction measurements of liquid bromine at T = 298 K and T = 473 K and orthobaric densities. The structure factor, S(Q), in the range 0·8-15Å -1 and the non-bonded bromine atom-atom correlation function, g(r), are discussed and compared with previous results on Br 2 and Cl 2 . M...

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Veröffentlicht in:	Molecular physics 1985-07, Vol.55 (4), p.887-899
Hauptverfasser:	Andreani, C., Cilloco, F., Nencini, L., Rocca, D., Sinclair, R.N.
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Physics Structure of solids and liquids crystallography Studies of specific liquid structures
Online-Zugang:	Volltext
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Beschreibung
Zusammenfassung:	We report neutron diffraction measurements of liquid bromine at T = 298 K and T = 473 K and orthobaric densities. The structure factor, S(Q), in the range 0·8-15Å -1 and the non-bonded bromine atom-atom correlation function, g(r), are discussed and compared with previous results on Br 2 and Cl 2 . Monte Carlo (MC) computer simulations using the two-centre Lennard-Jones interaction model with idealized point quadrupole were performed at the higher temperature. This effective pair potential turns out to be unable to reproduce the Br 2 structure.
ISSN:	0026-8976 1362-3028
DOI:	10.1080/00268978500101771