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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 55, 1985 - Issue 4
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Original Articles

The structure of liquid bromine

C. Andreani Dipartimento di Fisica, II Universita' di Roma, Via O. Raimondo, Roma, Italy; G.N.S.M. del C.N.R.
,
F. Cilloco Istituto di Struttura della Materia Frascati, Roma, Italy
,
L. Nencini Dipartimento di Fisica “G. Marconi”, Universita' di Roma “La Sapienza”, P. le A. Moro 2, Roma, Italy; G.N.S.M. del C.N.R.
,
D. Rocca Dipartimento di Fisica “G. Marconi”, Universita' di Roma “La Sapienza”, P. le A. Moro 2, Roma, Italy; G.N.S.M. del C.N.R.
&
R.N. Sinclair Materials Physics Division, AERE, Harwell, Oxon, England
Pages 887-899 | Received 04 Jan 1985, Accepted 11 Mar 1985, Published online: 12 Aug 2006
 
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Abstract

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 Br2 and Cl2. 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 Br2 structure.

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