Journal article
Magnetic and Sorption Properties of Supramolecular Systems Based on Pentanuclear Copper(II) 12-Metallacrown-4 Complexes and Isomeric Phthalates: Structural Modeling of the Different Stages of Alcohol Sorption
European journal of inorganic chemistry, v 2011(31), pp 4826-4836
01 Nov 2011
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Abstract
Metathesis of the perchlorate anions in [Cu-5(ahpha)(4)](ClO4)(2)U4H(2)O, where ahpha(2-) is the dianion of 3-amino-3-hydroximinopropane hydroxamic acid, with m- and p-phthalates resulted in formation of [Cu-5(ahpha)(4)(m-C8H4O4)(H2O)]center dot 9H(2)O (1), [Cu-5(ahpha)(4)(m-C8H4O4)(H2O)]center dot 2MeOH center dot DMF (1a) and [Cu-5(ahpha)(4)(p-C8H4O4)(H2O)(2)](2)center dot 14H(2)O (2). Molecules in the structures of 1, 1a and 2 are held together by noncovalent interactions, and the lattices contain voids filled with water molecules. Compounds 1 and 1a differ in the mode of m-phthalate coordination, solvent type, and crystal lattice content. Desolvated 1 and 2 sorb gaseous MeOH and EtOH. Whereas the MeOH sorption capacity was very similar for 1 and 2 (about 0.14 cm(3)/g at PPS-1 = 0.9, where P is the current methanol pressure and P-S the saturation vapor pressure of methanol at 293 K), the capacity of 2 to sorb EtOH was about 1.5 times as high as that of 1. To a certain extent, the structures of 1 and 1a can be considered as models of compounds that can form at different stages during alcohol sorption by desolvated 1. The chi T-M vs. T data for 1 and 2 could be fitted with a model based on the Hamiltonian H(Cu-5(II)) = -2J(1)(S-1 center dot S-2 + S-1 center dot S-3 + S-1 center dot S-4 + S-1 center dot S-5) - 2J(2)(S-2 center dot S-5 + S-2 center dot S-3 + S-3 center dot S-4 + S-4 center dot S-5), where S1 represents the spins of the central Cu-II ions and S-2-S-4 correspond to the spins of the peripheral Cu-II ions. The best fits corresponded to J(1) = -129(3) cm(-1), J(2) = -66(1) cm-1 and zJ' = -2.5(2) cm(-1) at gCu = 2.12(1) for 1, and J(1) = -163(3) cm(-1), J(2) = -78(1) cm(-1) and zJ' = -1.5(1) cm(-1) at gCu = 2.05(1) for 2.
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Details
- Title
- Magnetic and Sorption Properties of Supramolecular Systems Based on Pentanuclear Copper(II) 12-Metallacrown-4 Complexes and Isomeric Phthalates: Structural Modeling of the Different Stages of Alcohol Sorption
- Creators
- Anna V. Pavlishchuk - Taras Shevchenko National University of KyivSergey V. Kolotilov - L.V. Pisarzhevskii Institute of Physical ChemistryMatthias Zeller - Youngstown State UniversityOleksiy V. Shvets - L.V. Pisarzhevskii Institute of Physical ChemistryIgor O. Fritsky - Taras Shevchenko National University of KyivSamuel E. Lofland - Rowan UniversityAnthony W. Addison - Drexel UniversityAllen D. Hunter - Youngstown State University
- Publication Details
- European journal of inorganic chemistry, v 2011(31), pp 4826-4836
- Publisher
- Wiley
- Number of pages
- 11
- Grant note
- 7/2P-2011 / National Academy of Sciences of Ukraine (of the NAS of Ukraine and the Russian Foundation for Basic Research) Youngstown State University 0087210 / National Science Foundation (NSF) Drexel University CAP-491 / Ohio Board of Regents
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:000297016100006
- Scopus ID
- 2-s2.0-80054937099
- Other Identifier
- 991019168630704721
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- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Chemistry, Inorganic & Nuclear