Vibrational spectra of carboxylato complexes—II. Some oxo-tetranuclear complexes

Johnson, M.K.; Powell, D.B.; Cannon, Roderick D.

doi:10.1016/0584-8539(82)80187-6

Cited by 27 publications

(21 citation statements)

References 9 publications

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“…More importantly, our simulated Zn-O frequencies in the region 500 -575 cm -1 lie within the range of frequencies attributed to ZnO 4 tetrahedral modes in IRMOF-1 56 and related compounds. 57,58 Our use of simulated power spectra also enables us to detect modes at very low frequencies (< 100 cm -1 ). Specifically, the predicted torsional frequency of phenyl rings in the BDC linker at 40 cm -1 is in agreement with quasielastic neutron scattering results, 50 and the increasing tendency of this motion with increasing temperature is consistent with NMR data.…”

Section: Discussionmentioning

confidence: 99%

“…Recently published experimental spectra of IRMOF-1 54-56 and analogous inorganic complexes provide a basis for comparison 57,58 In addition, there are two recently published spectra obtained from force field simulations. 33,34 Unlike our nonbonded approach, however, these force fields include bonded terms between all atoms, including Zn, O cent , and O carb .…”

Section: Energetic Validationmentioning

confidence: 99%

“…Spectroscopic peaks between 530 cm -1 and 560 cm -1 are typically used to identify ZnO 4 vibrations, 57,58 and for IRMOF-1 the 534 cm -1 band in the infrared spectrum has been assigned to the Zn-O stretching vibration. 56 Our power spectra exhibit peaks in this region at 500 cm 59,60 We take this agreement to be strong confirming evidence that the non-bonded approach captures essential aspects of the forces governing MOF structure.…”

Section: Energetic Validationmentioning

confidence: 99%

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Stress-Induced Chemical Detection Using Flexible Metal−Organic Frameworks

et al. 2008

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In this work we demonstrate the concept of stress-induced chemical detection using metalorganic frameworks (MOFs) by integrating a thin film of the MOF HKUST-1 with a microcantilever surface. The results show that the energy of molecular adsorption, which causes slight distortions in the MOF crystal structure, can be efficiently converted to mechanical energy to create a highly responsive, reversible, and selective sensor. This sensor responds to water, methanol, and ethanol vapors, but yields no response to either N 2 or O 2 . The magnitude of the signal, which is measured by a built-in piezoresistor, is correlated with the concentration and can be fitted to a Langmuir isotherm. Furthermore, we show that the hydration state of the MOF layer can be used to impart selectivity to CO 2 . We also report the first use of surface-enhanced Raman spectroscopy to characterize the structure of a MOF film. We conclude that the synthetic versatility of these nanoporous materials holds great promise for creating recognition chemistries to enable selective detection of a wide range of analytes. A force field model is described that successfully predicts changes in MOF properties and the uptake of gases. This model is used to predict adsorption isotherms for a number of representative compounds, including explosives, nerve agents, volatile organic compounds, and polyaromatic hydrocarbons. The results show that, as a result of relatively large heats of adsorption (> 20 kcal mol -1 ) in most cases, we expect an onset of adsorption by MOF as low as 10 -6 kPa, suggesting the potential to detect compounds such as RDX at levels as low as 10 ppb at atmospheric pressure.

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Section: Discussionmentioning

confidence: 99%

Section: Energetic Validationmentioning

confidence: 99%

Section: Energetic Validationmentioning

confidence: 99%

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Stress-Induced Chemical Detection Using Flexible Metal−Organic Frameworks

et al. 2008

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“…Additional absorption bands of organic species at 1590, 1415 and 1340 cm -1 were observed in all the samples. They may originate from the tetra nuclear oxo zinc acetate cluster (Zn 4 O(CH 3 COO) 6 ) [48,49] and are an indication of an organophilic particle surface. Zn 4 O(CH 3 COO) 6 species were identified by 13 C NMR spectroscopy by Berkesi et al [50].…”

Section: Results and Discussion 31 Synthesis Of Nano Znomentioning

confidence: 99%

Polyol mediated nano size zinc oxide and nanocomposites with poly(methyl methacrylate)

Anžlovar¹,

Kogej²,

Orel³

et al. 2011

Express Polym. Lett.

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Abstract. Organophilic nano ZnO particles have been synthesized in various diols (ethylene glycol -EG, 1,2 propane diol -PD, 1,4 butane diol -BD and tetra(ethylene glycol) -TEG) in the presence of p-toluenesulfonic acid, p-TsOH, as an end capping agent. The addition of p-TsOH reduces the ZnO particle size and increases its crystallite size. With increasing diol main chain length the ZnO particle size increases (EG (32 nm) < PD (33 nm) < BD (72 nm) < TEG (86 nm)). Using the assynthesized and unmodified ZnO nanocomposites with poly(methyl methacrylate), PMMA, matrix have been prepared by the in-situ bulk polymerization of methyl methacrylate, MMA. The addition of surface modifiers is avoided which is an advantage for the application since they can influence other properties of the material. ZnO particles, especially those with smaller particle sizes (EG -32 nm, PD -33 nm) showed enhanced effect on the thermal stability of PMMA, ultraviolet, UV, absorption and transparency for visible light. Transparent materials with high UV absorption and with enhanced resistance to sunlight were obtained by optimizing the nanocomposite preparation procedure using ZnO particles of about 30 nm size in concentrations between 0.05 and 0.1 wt%. The reported nanocomposite preparation procedure is compatible with the industrial process of PMMA sheet production.

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“…The difference ⊿[⊿ ¼ n as (CO 2 ) e n s (CO 2 )] is 131 cm À1 and 231 cm À1 and this declares the carboxylate groups of salicylic acids were coordinated to chromium in a bidentate (less than that for monodentate NaO 2 CPh (186 cm À1 )) and monodentate bridging mode of the carboxylate ligation [18]. An absorption near 672 cm À1 can be attributed to the v as (Cr 3 O) vibration [19]. The bands observed at~458 cm À1 may be due to CreO vibrations [20].…”

Section: Infrared Spectroscopymentioning

confidence: 97%