Structural study of two reactive diacetylenes

Sylvie Spagnoli (1) , Michel Schott (2) , Mark Johnson (3) , Loïc Toupet (4)

1 LIPhy - Laboratoire Interdisciplinaire de Physique [Saint Martin d’Hères]
2 INSP - Institut des Nanosciences de Paris
3 ILL - Institut Laue-Langevin
4 UR - Université de Rennes

The unit cell dimensions of two diacetylenes 3BCMU and 4BCMU are measured from low temperature to 300 K. The complete crystal structures of the two phases of 3BCMU are determined at 110 K by X-ray diffraction and at 270 K by neutron diffraction helped by calculated geometrical optimization used as a starting structure. Neutron results allow to discuss the hydrogen bond strength and to determine the thermal expansion coefficients. (c) 2007 Elsevier B.V. All rights reserved.

Mots clés: diacetylene crystals; reactive monomers; crystal structure; hydrogen bond

Domaines: Matière Condensée [cond-mat]

Sylvie Spagnoli, Michel Schott, Mark Johnson, Loïc Toupet. Structural study of two reactive diacetylenes. Chemical Physics, 2007, 333 (2-3), pp.236-245. ⟨10.1016/j.chemphys.2007.02.007⟩. ⟨hal-01287884⟩