Effects of Temperature on the Shape and Symmetry of Molecules and Solids

Chemistry : a European Journal
Abel CarrerasPere Alemany

Abstract

Despite its undeniable problems from a philosophical point of view, the concept of molecular structure, with attributes such as shape and symmetry, directly borrowed from the description of macroscopic objects, is nowadays central to most of the chemical sciences. Descriptions such as "the tetrahedral carbon atom" or "octahedral coordination complexes" are widely used as much in elementary textbooks as in the most up-to-date research articles. The definition of molecular shape is, however, not as simple as it might seem at first sight. Molecules don't behave as macroscopic objects do, and the arrangement of atoms within a molecule changes continuously due to the incessant motion of its constituent particles, nuclei, and electrons. How are molecular shape and symmetry affected by this thermal motion? In this Minireview, we introduce the language of continuous symmetry measures as a new tool to quantitatively describe the effects of temperature on molecular shape and symmetry, enriching in this way the set of molecular descriptors that might be used in the establishment of new empirical structure-property relations, of great interest in concomitant areas such as medicinal chemistry or materials science.

References

Mar 15, 1989·Physical Review. B, Condensed Matter·J Tersoff
Dec 11, 1999·Nucleic Acids Research·H M BermanP E Bourne
Jun 7, 2000·Chemistry : a European Journal·O Katzenelson, D Avnir
Oct 24, 2001·Inorganic Chemistry·Mark Pinsky, David Avnir
May 31, 2002·Acta Crystallographica. Section B, Structural Science·Alec BelskyPeter Luksch
May 31, 2002·Acta Crystallographica. Section B, Structural Science·Frank H Allen
Feb 13, 2003·Journal of the American Chemical Society·Luca Bellarosa, Francesco Zerbetto
Mar 20, 2003·Chemistry : a European Journal·David CasanovaSantiago Alvarez
Nov 5, 2003·Gastroenterology·UNKNOWN American Gastroenterological Association Clinical Practice Committee
Dec 26, 2003·Chemistry : a European Journal·Jordi CireraSantiago Alvarez
Feb 12, 2004·Journal of the American Chemical Society·David CasanovaSantiago Alvarez
Mar 16, 2004·Acta Crystallographica. Section B, Structural Science·Dina Yogev-Einot, David Avnir
Jan 20, 2005·Chemistry : a European Journal·David CasanovaSantiago Alvarez
Mar 22, 2005·Chemical Society Reviews·Santiago AlvarezDavid Avnir
Feb 3, 2006·Chemistry : a European Journal·Jordi CireraSantiago Alvarez
Apr 21, 2006·Dalton Transactions : an International Journal of Inorganic Chemistry·Santiago Alvarez
Sep 5, 2006·Chemistry : a European Journal·Avital SteinbergDavid Avnir
Jun 15, 2007·Journal of Computational Chemistry·Mark PinskyAlexander Sterkin
Nov 15, 2007·Chemistry : a European Journal·Antonio Ruiz-MartínezSantiago Alvarez
Feb 15, 2008·Inorganic Chemistry·Jordi CireraSantiago Alvarez
May 20, 2008·Journal of Computational Chemistry·Mark PinskyDavid Avnir
Aug 9, 2008·Chemical Communications : Chem Comm·Jorge EcheverríaSantiago Alvarez
Oct 31, 2008·Inorganic Chemistry·Jorge Echeverría, Santiago Alvarez
Jun 25, 2009·Chemistry : a European Journal·Antonio Ruiz-Martínez, Santiago Alvarez
Jul 9, 2009·Chemical Communications : Chem Comm·Jorge EcheverríaSantiago Alvarez
Oct 24, 2009·Physical Chemistry Chemical Physics : PCCP·Chaim Dryzun, David Avnir
Apr 8, 2010·Dalton Transactions : an International Journal of Inorganic Chemistry·James C KnightNeha Singh
Apr 24, 2010·Chemistry : a European Journal·Antonio Ruiz-MartínezSantiago Alvarez
Jul 21, 2010·Chemistry : a European Journal·Eduard CremadesSantiago Alvarez
Oct 27, 2010·Physical Chemistry Chemical Physics : PCCP·David Casanova, Pere Alemany
Jan 6, 2011·Chemistry : a European Journal·Jorge EcheverríaSantiago Alvarez
Jan 13, 2011·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Chaim Dryzun, David Avnir
Apr 20, 2011·Chemistry : a European Journal·Chaim DryzunDavid Avnir
May 18, 2011·The Journal of Organic Chemistry·Inbal Tuvi-Arad, David Avnir
Dec 14, 2011·Chemistry : a European Journal·Pere AlemanyChaim Dryzun
May 9, 2012·Chemical Communications : Chem Comm·Chaim Dryzun, David Avnir
Jul 12, 2012·Chemistry : a European Journal·Inbal Tuvi-Arad, David Avnir
Jul 26, 2012·Physical Chemistry Chemical Physics : PCCP·Pere AlemanySantiago Alvarez
Aug 30, 2012·Journal of Computational Chemistry·Mark PinskyDavid Avnir

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Citations

Sep 11, 2020·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Mathieu FossépréMathieu Surin
Jul 9, 2021·Analytical Methods : Advancing Methods and Applications·Mingli ChenHuancai Yin
Nov 20, 2020·The Journal of Organic Chemistry·Ariela W Kaspi-KanetiInbal Tuvi-Arad

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