Gated and Differently Functionalized (New) Porous Capsules Direct Encapsulates' Structures: Higher and Lower Density Water

Mitra T, Miro P, Tomsa A-R, Merca A, Bögge H, Avalos JB, Poblet JM, Bo C, Müller A (2009)
Chemistry - a European Journal 15(8): 1844-1852.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Autor*in
Mitra, TamoghnaUniBi; Miro, Pere; Tomsa, Adrian-Raul; Merca, AliceUniBi; Bögge, HartmutUniBi; Avalos, Josep Bonet; Poblet, Josep Maria; Bo, Carles; Müller, AchimUniBi
Abstract / Bemerkung
By the deliberate choice of the internal ligands of the porous nanocapsules [{Mo)Mo-5}(12){Mo-2-(ligand)}(30)](n-), the respective cavities' shells can be differently sized/functionalized. This allows one to trap the same large number of water molecules, that is, 100 in a capsule cavity with formate ligands having a larger space available, as well as in a cavity containing sulfates and hypophosphites, that is, with less space. Whereas the 100 molecules fill the space completely in the second case in which they are organized in three shells, a four-shell system with underoccupation and broken hydrogen bonds is observed in the other case. This is an unprecedented result in terms of the structurally well defined special forms of "higher and lower density" water molecule assemblies. Precisely, by replacing the larger ligands in the mentioned nanocapsule type by formates, voids in the capsule cavity of (HC(NH2)(2))(22)[{(HC(NH2)(2))(20) + (H2O)(100)}subset of{(Mo)Mo5O21(H2O)(6)}(12)- {Mo2O4(HCO2)}(30)]center dot ca.200H(2)O are generated that get filled with water molecules concomitant with an expansion of the three to four shell {H2O}(100) cluster. The water shells in both capsules containing different ligands are organized in the form of dodecahedra (partly with underoccupation) and a strongly distorted rhombicosidodecahedron spanned by a {H2O}(60)={(H2O)(5)}(12) aggregate. The well-defined water shells only emerge if cations cannot enter into the capsules, which is achieved by closing the pores with plugs/guests such as formamidinium cations. The work is based on the syntheses of two new compounds, related single-crystal X-ray diffraction studies, and molecular dynamics simulations, which show remarkably that water molecule shell structuring occurs in the capsules due to the confined conditions even in the case of open pores and at room temperature if cation uptake is prevented.
Stichworte
capsules; self-assembly; water structures; polyoxometalates; nanostructures; confinement
Erscheinungsjahr
2009
Zeitschriftentitel
Chemistry - a European Journal
Band
15
Ausgabe
8
Seite(n)
1844-1852
ISSN
0947-6539
eISSN
1521-3765
Page URI
https://pub.uni-bielefeld.de/record/1635648

Zitieren

Mitra T, Miro P, Tomsa A-R, et al. Gated and Differently Functionalized (New) Porous Capsules Direct Encapsulates' Structures: Higher and Lower Density Water. Chemistry - a European Journal. 2009;15(8):1844-1852.
Mitra, T., Miro, P., Tomsa, A. - R., Merca, A., Bögge, H., Avalos, J. B., Poblet, J. M., et al. (2009). Gated and Differently Functionalized (New) Porous Capsules Direct Encapsulates' Structures: Higher and Lower Density Water. Chemistry - a European Journal, 15(8), 1844-1852. https://doi.org/10.1002/chem.200801602
Mitra, Tamoghna, Miro, Pere, Tomsa, Adrian-Raul, Merca, Alice, Bögge, Hartmut, Avalos, Josep Bonet, Poblet, Josep Maria, Bo, Carles, and Müller, Achim. 2009. “Gated and Differently Functionalized (New) Porous Capsules Direct Encapsulates' Structures: Higher and Lower Density Water”. Chemistry - a European Journal 15 (8): 1844-1852.
Mitra, T., Miro, P., Tomsa, A. - R., Merca, A., Bögge, H., Avalos, J. B., Poblet, J. M., Bo, C., and Müller, A. (2009). Gated and Differently Functionalized (New) Porous Capsules Direct Encapsulates' Structures: Higher and Lower Density Water. Chemistry - a European Journal 15, 1844-1852.
Mitra, T., et al., 2009. Gated and Differently Functionalized (New) Porous Capsules Direct Encapsulates' Structures: Higher and Lower Density Water. Chemistry - a European Journal, 15(8), p 1844-1852.
T. Mitra, et al., “Gated and Differently Functionalized (New) Porous Capsules Direct Encapsulates' Structures: Higher and Lower Density Water”, Chemistry - a European Journal, vol. 15, 2009, pp. 1844-1852.
Mitra, T., Miro, P., Tomsa, A.-R., Merca, A., Bögge, H., Avalos, J.B., Poblet, J.M., Bo, C., Müller, A.: Gated and Differently Functionalized (New) Porous Capsules Direct Encapsulates' Structures: Higher and Lower Density Water. Chemistry - a European Journal. 15, 1844-1852 (2009).
Mitra, Tamoghna, Miro, Pere, Tomsa, Adrian-Raul, Merca, Alice, Bögge, Hartmut, Avalos, Josep Bonet, Poblet, Josep Maria, Bo, Carles, and Müller, Achim. “Gated and Differently Functionalized (New) Porous Capsules Direct Encapsulates' Structures: Higher and Lower Density Water”. Chemistry - a European Journal 15.8 (2009): 1844-1852.

13 Zitationen in Europe PMC

Daten bereitgestellt von Europe PubMed Central.

Anions coordinating anions: analysis of the interaction between anionic Keplerate nanocapsules and their anionic ligands.
Melgar D, Bandeira NA, Bonet Avalos J, Bo C., Phys Chem Chem Phys 19(7), 2017
PMID: 28155941
Confinement of Water Pentamers within the Crystals of a Reduced Cyclotribenzoin.
Alrayyani M, Wang X, Miljanić OŠ., Chemistry 23(65), 2017
PMID: 29044834
Artificial water channels--incipient innovative developments.
Barboiu M., Chem Commun (Camb) 52(33), 2016
PMID: 27046217
Water repellency in hydrophobic nanocapsules--molecular view on dewetting.
Müller A, Garai S, Schäffer C, Merca A, Bögge H, Al-Karawi AJ, Prasad TK., Chemistry 20(22), 2014
PMID: 24782303
Size-dependent water structures in carbon nanotubes.
Ohba T., Angew Chem Int Ed Engl 53(31), 2014
PMID: 24894819
Picking up 30 CO2 molecules by a porous metal oxide capsule based on the same number of receptors.
Garai S, Haupt ET, Bögge H, Merca A, Müller A., Angew Chem Int Ed Engl 51(42), 2012
PMID: 23001843
Guests on different internal capsule sites exchange with each other and with the outside.
Petina O, Rehder D, Haupt ET, Grego A, Weinstock IA, Merca A, Bögge H, Szakács J, Müller A., Angew Chem Int Ed Engl 50(2), 2011
PMID: 21132826
Polyoxometalate nanocone nanoreactors: magnetic manipulation and enhanced catalytic performance.
Nisar A, Lu Y, Zhuang J, Wang X., Angew Chem Int Ed Engl 50(14), 2011
PMID: 21370361
Hydrophobic interactions and clustering in a porous capsule: option to remove hydrophobic materials from water.
Schäffer C, Todea AM, Bögge H, Petina OA, Rehder D, Haupt ET, Müller A., Chemistry 17(35), 2011
PMID: 21748814
Softening of pore and interior properties of a metal-oxide-based capsule: substituting 60 oxide by 60 sulfide ligands.
Schäffer C, Todea AM, Bögge H, Cadot E, Gouzerh P, Kopilevich S, Weinstock IA, Müller A., Angew Chem Int Ed Engl 50(51), 2011
PMID: 22034074
Single-crystal X-ray structure of 1,3-dimethylcyclobutadiene by confinement in a crystalline matrix.
Legrand YM, van der Lee A, Barboiu M., Science 329(5989), 2010
PMID: 20647461

94 References

Daten bereitgestellt von Europe PubMed Central.


AUTHOR UNKNOWN, 2003

AUTHOR UNKNOWN, 0

Britz, Chem. Commun. (), 2005
Multiwalled ice helixes and ice nanotubes.
Bai J, Wang J, Zeng XC., Proc. Natl. Acad. Sci. U.S.A. 103(52), 2006
PMID: 17170136

AUTHOR UNKNOWN, 0

Ball, 1999
Water as an active constituent in cell biology.
Ball P., Chem. Rev. 108(1), 2007
PMID: 18095715
Life's matrix: water in the cell.
Ball P., Cell. Mol. Biol. (Noisy-le-grand) 47(5), 2001
PMID: 11728087
Water: water--an enduring mystery.
Ball P., Nature 452(7185), 2008
PMID: 18354466

AUTHOR UNKNOWN, 0
A proposal for the structuring of water.
Chaplin MF., Biophys. Chem. 83(3), 2000
PMID: 10647851
Do we underestimate the importance of water in cell biology?
Chaplin M., Nat. Rev. Mol. Cell Biol. 7(11), 2006
PMID: 16955076

AUTHOR UNKNOWN, 1972
Predictions of the properties of water from first principles.
Bukowski R, Szalewicz K, Groenenboom GC, van der Avoird A., Science 315(5816), 2007
PMID: 17332406

AUTHOR UNKNOWN, 0

Benson, J. Am. Chem. Soc. 114(), 1992

Stanley, Physica A. 306(), 2002
Water clusters: untangling the mysteries of the liquid, one molecule at a time.
Keutsch FN, Saykally RJ., Proc. Natl. Acad. Sci. U.S.A. 98(19), 2001
PMID: 11535820
The structure of the first coordination shell in liquid water.
Wernet P, Nordlund D, Bergmann U, Cavalleri M, Odelius M, Ogasawara H, Naslund LA, Hirsch TK, Ojamae L, Glatzel P, Pettersson LG, Nilsson A., Science 304(5673), 2004
PMID: 15060287
Chemistry. Snapshots of water at work.
Robertson WH, Diken EG, Johnson MA., Science 301(5631), 2003
PMID: 12869746
Chemistry. New insights into the structure of water with ultrafast probes.
Zubavicus Y, Grunze M., Science 304(5673), 2004
PMID: 15143269

Smith, Science 308(), 2005

Bondybey, Int. Rev. Phys. Chem. 21(), 2002

Mishima, Nature 396(), 1998

Vedamuthu, J. Phys. Chem. 98(), 1994

Cho, J. Chem. Phys. 107(), 1997
Role of hydration water in protein unfolding.
Robinson GW, Cho CH., Biophys. J. 77(6), 1999
PMID: 10585953

Ludwig, Angew. Chem. 113(), 2001

AUTHOR UNKNOWN, Angew. Chem. Int. Ed. 40(), 2001

AUTHOR UNKNOWN, 0
High and low density intracellular water.
Wiggins PM., Cell. Mol. Biol. (Noisy-le-grand) 47(5), 2001
PMID: 11728089
Role of water in some biological processes.
Wiggins PM., Microbiol. Rev. 54(4), 1990
PMID: 2087221

AUTHOR UNKNOWN, 0

Wiggins, PLoS ONE 3(), 2008

AUTHOR UNKNOWN, 0

Alcoutlabi, J. Phys. Condens. Matter 17(), 2005

AUTHOR UNKNOWN, 0

Alba-Simionesco, J. Phys. Condens. Matter 18(), 2006
Evidence of the existence of the low-density liquid phase in supercooled, confined water.
Mallamace F, Broccio M, Corsaro C, Faraone A, Majolino D, Venuti V, Liu L, Mou CY, Chen SH., Proc. Natl. Acad. Sci. U.S.A. 104(2), 2006
PMID: 17192402

AUTHOR UNKNOWN, 0

Floquet, Adsorption 11(), 2005

AUTHOR UNKNOWN, 0
Structure and decompression melting of a novel, high-pressure nanoconfined 2-D ice.
Wang J, Kalinichev AG, Kirkpatrick RJ., J Phys Chem B 109(30), 2005
PMID: 16852798
Observation of fragile-to-strong dynamic crossover in protein hydration water.
Chen SH, Liu L, Fratini E, Baglioni P, Faraone A, Mamontov E., Proc. Natl. Acad. Sci. U.S.A. 103(24), 2006
PMID: 16751274

AUTHOR UNKNOWN, 0

Müller, Coord. Chem. Rev. 245(), 2003

Müller, 2004

Merca, Chem. Commun. (), 2008

Haupt, Chem. Eur. J. 14(), 2008

Merca, Chem. Eur. J. 13(), 2007

Todea, Angew. Chem. 119(), 2007

AUTHOR UNKNOWN, Angew. Chem. Int. Ed. 46(), 2007

Müller, Angew. Chem. 114(), 2002

AUTHOR UNKNOWN, Angew. Chem. Int. Ed. 41(), 2002

Müller, Angew. Chem. 115(), 2003

AUTHOR UNKNOWN, Angew. Chem. Int. Ed. 42(), 2003

Müller, Inorg. Synth. 34(), 2004

Proust, Chem. Commun. (), 2008

AUTHOR UNKNOWN, 0
Unusual hydrogen bonding in water-filled carbon nanotubes.
Byl O, Liu JC, Wang Y, Yim WL, Johnson JK, Yates JT Jr., J. Am. Chem. Soc. 128(37), 2006
PMID: 16967958

Shiomi, J. Phys. Chem. C 111(), 2007
Confinement or the nature of the interface? Dynamics of nanoscopic water.
Moilanen DE, Levinger NE, Spry DB, Fayer MD., J. Am. Chem. Soc. 129(46), 2007
PMID: 17958424
Dynamics of water confined within reverse micelles.
Rosenfeld DE, Schmuttenmaer CA., J Phys Chem B 110(29), 2006
PMID: 16854137
Dynamics of Water in NaxCoO2.yH2O.
Jalarvo N, Bordallo HN, Aliouane N, Adams MA, Pieper J, Argyriou DN., J Phys Chem B 112(3), 2007
PMID: 18092769

Müller, Angew. Chem. 115(), 2003

AUTHOR UNKNOWN, Angew. Chem. Int. Ed. 42(), 2003

Müller, Chem. Commun. (), 1999

Henry, J. Mol. Liq. 118(), 2005

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

Müller, Angew. Chem. 111(), 1999

AUTHOR UNKNOWN, Angew. Chem. Int. Ed. 38(), 1999

Müller, Chem. Commun. (), 2006
Self-association based on interfacial structured water leads to {Mo154}approximately 1165 super clusters: a dielectric study.
Oleinikova A, Weingartner H, Chaplin M, Diemann E, Bogge H, Muller A., Chemphyschem 8(5), 2007
PMID: 17335107

AUTHOR UNKNOWN, 0
Surface science. How minerals react with water.
Brown GE Jr., Science 294(5540), 2001
PMID: 11588241

Casey, Annu. Rev. Earth Planet. Sci. 35(), 2007

Casey, Rev. Geophys. 41(), 2003

AUTHOR UNKNOWN, 0
Formation of ordered ice nanotubes inside carbon nanotubes.
Koga K, Gao GT, Tanaka H, Zeng XC., Nature 412(6849), 2001
PMID: 11518961

Ohmine, Nature 447(), 2007

AUTHOR UNKNOWN, 0

Goodsell, 1998

Haupt, Chem. Commun. (), 2005

Rappé, J. Phys. Chem. 95(), 1991

Berendsen, J. Phys. Chem. 91(), 1987
Polyoxometalates in solution: Molecular dynamics simulations on the alpha-PW12O40(3-) Keggin anion in aqueous media.
Lopez X, Nieto-Draghi C, Bo C, Avalos JB, Poblet JM., J Phys Chem A 109(6), 2005
PMID: 16833432

Lee, J. Phys. Chem. 100(), 1996

AUTHOR UNKNOWN, 0

Smith, Mol. Simul. Mol. Sim. 28(), 2002
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