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Anisotropy of Intermolecular Interactions from the Study of the Thermal‐Expansion Tensor
Author(s) -
Salud J.,
Barrio M.,
López D. O.,
Tamarit J. Ll.,
Alcobé X.
Publication year - 1998
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889898004968
Subject(s) - intermolecular force , thermal expansion , van der waals force , anisotropy , hydrogen bond , chemistry , tensor (intrinsic definition) , thermodynamics , phase (matter) , isobaric process , crystallography , van der waals radius , molecule , organic chemistry , physics , mathematics , quantum mechanics , pure mathematics
The anisotropy of the intermolecular interactions in the low‐temperature ordered phases of three chemically and structurally related compounds [neopentylglycol, (CH 3 ) 2 C(CH 2 OH) 2 , pivalic acid, (CH 3 ) 3 C(COOH), and neopentylalcohol, (CH 3 ) 3 C(CH 2 OH)], all of which display an orientationally disordered high‐temperature phase, has been shown by means of the isobaric thermal‐expansion tensor. The variation of the directions of the principal components of the thermal‐expansion tensor as a function of temperature, as well as the variation of its principal coefficients, is evidence of the large differences in the intermolecular interactions for each compound; or, more precisely, between the strong intermolecular hydrogen bonds and the weak van der Waals interactions. In addition, the differences in the hydrogen‐bonding schemes expected a priori from the molecular structures of the studied compounds have been enhanced. Finally, the volume expansivity as well as the packing coefficient have been analysed in the orientationally disordered high‐temperature phase of each of the three compounds.