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Rotor–stator phases of fullerenes with cubane derivatives: A novel family of heteromolecular crystals
Author(s) -
Pekker S.,
Kováts É.,
Oszlányi G.,
Bényei Gy.,
Klupp G.,
Bortel G.,
Jalsovszky I.,
Jakab E.,
Borondics F.,
Kamarás K.,
Faigel G.
Publication year - 2006
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200669136
Subject(s) - cubane , fullerene , octahedron , crystallography , chemistry , crystal structure , chemical physics , materials science , organic chemistry
We present the formation, structure and properties of a new family of molecular crystals of distinct rotating and static components: the derivatives of fullerenes with cubane. The new crystals consist of alternating arrays of the constituents, stabilized by the recognition of the complementary molecular surfaces. The concave cubanes match six rotating fullerenes in octahedral configuration, while the six nearest neighbours of the convex fullerenes may form either octahedral or trigonal prismatic configurations. Fullerenes rotate freely in the ‘molecular bearing’ of cubanes. Lower symmetry crystals of similar properties form when cubane is replaced by 1,4‐diethynyl cubane. The following properties will be discussed: (i) The significant size and shape recognition makes possible the design of the crystal structure of new higher fullerenes and substituted cubane derivatives. (ii) The phase diagram of the rotor–stator crystals can be constructed in terms of the ball diameter of rotating fullerenes. (iii) The molecular geometry of the constituents has an influence on the structure and dynamics of the lower symmetry variants. (iv) At elevated temperatures the decomposition of cubane or diethynyl cubane induces topochemical copolymerization with the surrounding fullerenes. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)