Terminology and nomenclature for macromolecular rotaxanes and pseudorotaxanes (IUPAC Recommendations 2012)

Vohlídal, Jiří; Wilks, Edward S.; Yerin, Andrey; Fradet, Alain; Hellwich, Karl-Heinz; Hodge, Philip; Kahovec, Jaroslav; Mormann, Werner; Stepto, Robert F. T.

doi:10.1351/PAC-REC-11-10-15

Pure Appl. Chem., 2012, Vol. 84, No. 10, pp. 2135-2165

http://dx.doi.org/10.1351/PAC-REC-11-10-15

Published online 2012-09-21

POLYMER DIVISION

CHEMICAL NOMENCLATURE AND STRUCTURE REPRESENTATION DIVISION

Terminology and nomenclature for macromolecular rotaxanes and pseudorotaxanes (IUPAC Recommendations 2012)

Jiří Vohlídal¹*, Edward S. Wilks², Andrey Yerin³, Alain Fradet⁴, Karl-Heinz Hellwich⁵, Philip Hodge⁶, Jaroslav Kahovec⁷, Werner Mormann⁸ and Robert F. T. Stepto⁹

¹ Faculty of Sciences, Department of Physical and Macromolecular Chemistry, Charles University in Prague, Albertov 2030, CZ-128 40 Praha 2, Czech Republic
² 113 Meriden Drive, Canterbury Hills, Hockessin, DE 19707, USA
³ Advanced Chemistry Development, ul. Akademika Bakuleva 6, RF-117513 Moscow, Russia
⁴ Laboratoire de Chimie des Polymères, Université Pierre et Marie Curie, 4 Place Jussieu, 75252 Paris, France
⁵ Postfach 10 07 31, 63007 Offenbach, Germany
⁶ School of Chemistry, The University of Manchester, Manchester M13 9PL, UK
⁷ Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, Heyrovský Sq. 2, CZ-162 06 Praha 6, Czech Republic
⁸ Makromolekulare Chemie, Universität-Gesamthochschule Siegen, Adolf-Reichwein-Straße, D-57068 Siegen, Germany
⁹ School of Materials, The University of Manchester, Manchester M1 7HS, UK

Abstract: This document provides (i) definitions of terms related to macromolecular rotaxanes and macromolecular pseudorotaxanes and (ii) recommendations for naming these macromolecular assemblies. The nomenclature recommendations presented here have been developed by combining the nomenclature rules for the low-molar-mass (low-M) rotaxanes and those for macromolecules (both established in published IUPAC recommendations) in such a way that the developed nomenclature system provides unambiguous names for macromolecular rotaxanes (and pseudorotaxanes), including differentiation among various isomers of these supramolecular assemblies. Application of the nomenclature recommendations is illustrated using examples covering a wide range of structure types of macromolecular rotaxanes and pseudorotaxanes. An Alphabetical Index of Terms and a List of Abbreviations and Prefixes are included.