A cyclic (H<sub>2</sub>O)<sub>4</sub>cluster characterized in the solid state disappears on heating and regenerates from water vapor: A supramolecular reversible gas–solid reaction

Supriya, Sabbani; Das, Samar K.

doi:10.1039/b303539p

Cited by 84 publications

(36 citation statements)

References 61 publications

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“…In addition, a notable feature within complex 1 is the presence of three types of water clusters, namely (H 2 O) 6 , (H 2 O) 8 , and (H 2 O) 10 , in the hydrogen-bonded layer of BDC anions and water molecules (Figure 2, a). The hydrogenbonding parameters are outlined in Table 2.…”

Section: Crystal Structuresmentioning

confidence: 98%

“…Furthermore, the oxygen atoms O2, O2A, O5, O5A, O7, and O7A from the BDC ligands are involved in hydrogen bonds with water molecules OW4, OW4A, OW6, and OW6A to stabilize the (H 2 O) 6 cluster. Within the (H 2 O) 10 cluster, four water molecules (OW7, OW7A, OW16, and OW16A) act as both hydrogen-bond donors and acceptors (Figure 2, c). Four water molecules (OW13, OW13A, OW15, and OW15A) play the role of hydrogen-bond donors, while another two water molecules (OW14 and OW14A) only act as hydrogenbond acceptors.…”

Section: Crystal Structuresmentioning

confidence: 98%

“…Within the (H 2 O) 6 cluster, two water molecules (OW2 and OW2A) act as two hydrogen-bond donors with OW4 and OW4A as hydrogen-bond acceptors to form a cyclic water tetramer (Figure 2, b). [10,11] Interestingly, the cyclic water tetramer is hydrogen-bonded to two neighboring free water molecules, OW6 and OW6A, yielding a water hexamer. Furthermore, the oxygen atoms O2, O2A, O5, O5A, O7, and O7A from the BDC ligands are involved in hydrogen bonds with water molecules OW4, OW4A, OW6, and OW6A to stabilize the (H 2 O) 6 cluster.…”

Section: Crystal Structuresmentioning

confidence: 99%

“…Four water molecules (OW13, OW13A, OW15, and OW15A) play the role of hydrogen-bond donors, while another two water molecules (OW14 and OW14A) only act as hydrogenbond acceptors. Four water molecules (OW15, OW15A, OW16, and OW16A) form a cyclic water tetramer through hydrogen bonds, which is further hydrogen-bonded by water molecules OW7, OW13, OW14, OW7A, OW13A, and OW14A, leading to an (H 2 O) 10 cluster. Moreover, the (H 2 O) 10 cluster is stabilized by oxygen atoms O1, O1A, O3, O3A, O6A, and O6B from BDC ligands.…”

Section: Crystal Structuresmentioning

confidence: 99%

“…Four water molecules (OW15, OW15A, OW16, and OW16A) form a cyclic water tetramer through hydrogen bonds, which is further hydrogen-bonded by water molecules OW7, OW13, OW14, OW7A, OW13A, and OW14A, leading to an (H 2 O) 10 cluster. Moreover, the (H 2 O) 10 cluster is stabilized by oxygen atoms O1, O1A, O3, O3A, O6A, and O6B from BDC ligands. It is of interest that the four water molecules of the cyclic water tetramer in the (H 2 O) 6 or (H 2 O) 10 clusters are completely coplanar without regard to the connectivity of the hydrogen atoms.…”

Section: Crystal Structuresmentioning

confidence: 99%

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Two New Cu^II Coordination Polymers: Studies of Topological Networks and Water Clusters

et al. 2006

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Two new CuII coordination polymers, namely [Cu2(BDC)2(L)4(H2O)2]·14H2O (1) and [Cu1.5(BTC)(L)1.5(H2O)0.5]·2H2O (2), where L = 1,1′‐(1,4‐butanediyl)bis(imidazole), BDC = 1,4‐benzenedicarboxylate, and BTC = 1,3,5‐benzenetricarboxylate, have been synthesized at room temperature. Complex 1 exhibits an unusual, square‐planar, four‐connected 2D 264 net, which has been predicated by Wells. Interestingly, three types of water clusters, namely (H2O)6, (H2O)8, and (H2O)10, are observed in the hydrogen‐bonded layers constructed by the BDC ligands and water molecules. The BTC anion in compound 2 is coordinated to the CuII cation as tetradentate ligand to form a (66)2(426484)2(64810) net containing three kinds of nonequivalent points. Thermogravimetric analyses (TGA) and IR spectra for 1 and 2 are also discussed in detail. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

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Section: Crystal Structuresmentioning

confidence: 98%

Section: Crystal Structuresmentioning

confidence: 98%

Section: Crystal Structuresmentioning

confidence: 99%

Section: Crystal Structuresmentioning

confidence: 99%

Section: Crystal Structuresmentioning

confidence: 99%

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Two New Cu^II Coordination Polymers: Studies of Topological Networks and Water Clusters

et al. 2006

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Water Superstructures within Organic Arrays; Hydrogen‐Bonded Water Sheets, Chains and Clusters

Oxtoby

Blake

Champness

et al. 2005

Chemistry A European J

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A strategy for encouraging the formation of extended water arrays is presented, in which molecules that contain a 1,4-dihydroquinoxaline-2,3-dione core are used as supramolecular hosts for the accommodation of guest water molecules and arrays. These molecules were selected as they contain a hydrophilic oxalamide-based "terminus" that allows water molecules to hydrogen-bond to the host organic molecules as well as to each other. The host molecules also contain a hydrophobic "end" based upon an aromatic ring, which serves to encourage the formation of discrete water clusters in preference to three-dimensional networks, as the water molecules cannot form strong hydrogen bonds with this part of the molecule. A systematic study of several hydrated structures of four organic molecules based on 1,4-dihydroquinoxaline-2,3-dione (qd) is discussed. The organic molecules, qd, 6-methyl-1,4-dihydroquinoxaline-2,3-dione (mqd), 6,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione (dmqd) and 1,4-dihydrobenzo[g]quinoxaline-2,3-dione (Phqd), act as supramolecular crystal hosts for the clusters of water, with zero-, one- and two-dimensional arrays of water being observed. The hydrogen bonding in the structures, both within the water clusters and between the clusters and organic molecules, is examined. In particular, the structure of dmqd6 H2O contains a two-dimensional water sheet composed of pentagonal and octagonal units. Phqd3 H2O forms a hydrophilic extended structure encouraging the formation of one-dimensional chains consisting entirely of water. Both qd2 H2O and dmqd2 H2O can be considered to form one-dimensional chains, but only by utilising bridging carbonyl groups of the oxalamide moieties to form the extended array; if only the water is considered, zero-dimensional water tetramers are observed. The remaining hydrated structures, [Na+dmqd-]dmqdH2O, dmqd1/3H2O and mqd1/2H2O, all contain discrete water molecules but do not form extended water structures.

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The Structure of Water in p‐Sulfonatocalix[4]arene

Fucke

Anderson

Filby

et al. 2011

Chemistry A European J

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Tetrasodium p-sulfonatocalix[4]arene exists as a hydrate with approximately 14 water molecules and has three polymorphic modifications, all of which contain a water molecule in the molecular cavity that is engaged in OH···π interactions. Single-crystal neutron structures are reported for two of these three forms and reveal a "compressed" water molecule with short OH bonds. Partial atomic charges and hardness analysis (PACHA) calculations based on the neutron coordinates give an OH···π interaction energy of 6.9-7.5 kJ mol(-1). The PACHA analysis also reveals the dominance of the charge-assisted hydrogen bonds from the Na(+)-coordinated water molecules. The instability of the crystal towards dehydration can be traced to an uncoordinated lattice water site. The remarkable calixarene-Na(+)-hydrate motif is conserved almost unchanged across all three polymorphs. A single-crystal neutron structure is also reported for pentasodium p-sulfonatocalix[4]arene·12H(2)O, which exhibits an intracavity water molecule that is engaged in both OH···π and OH···O hydrogen bonding. The shorter covalent bond to the hydrogen atom that forms the interaction with the aromatic ring is again apparent.

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A cyclic (H₂O)₄cluster characterized in the solid state disappears on heating and regenerates from water vapor: A supramolecular reversible gas–solid reaction

Cited by 84 publications

References 61 publications

Two New Cu^II Coordination Polymers: Studies of Topological Networks and Water Clusters

Two New Cu^II Coordination Polymers: Studies of Topological Networks and Water Clusters

Water Superstructures within Organic Arrays; Hydrogen‐Bonded Water Sheets, Chains and Clusters

The Structure of Water in p‐Sulfonatocalix[4]arene

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A cyclic (H2O)4cluster characterized in the solid state disappears on heating and regenerates from water vapor: A supramolecular reversible gas–solid reaction

Cited by 84 publications

References 61 publications

Two New CuII Coordination Polymers: Studies of Topological Networks and Water Clusters

Two New CuII Coordination Polymers: Studies of Topological Networks and Water Clusters

Water Superstructures within Organic Arrays; Hydrogen‐Bonded Water Sheets, Chains and Clusters

The Structure of Water in p‐Sulfonatocalix[4]arene

Contact Info

Product

Resources

About

A cyclic (H₂O)₄cluster characterized in the solid state disappears on heating and regenerates from water vapor: A supramolecular reversible gas–solid reaction

Two New Cu^II Coordination Polymers: Studies of Topological Networks and Water Clusters

Two New Cu^II Coordination Polymers: Studies of Topological Networks and Water Clusters