Inclusion of pyridine and acetone by a diol host: structure, thermal stability and kinetics of desolvation

Jacobs, Ayesha; Masuku, Nana L. Z.; Nassimbeni, Luigi R.; Taljaard, Jana H.

doi:10.1039/b713769a

Cited by 16 publications

(11 citation statements)

References 15 publications

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“…34,35 The kinetics of desolvation processes have been more thoroughly studied and recent reviews have reported values of activation energies of between 75 and 135 kJ mol −1 . 36,37 The values obtained in this study fall within these ranges.…”

Section: Kinetics Of Water Sorptionsupporting

confidence: 78%

A new class of thermo- and solvatochromic metal–organic frameworks based on 4-(pyridin-4-yl)benzoic acid

2012

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Using 4-(pyridin-4-yl)benzoic acid, 44pba (1) as a ligand, two new metal-coordination networks [Co(4)(44pba)(8)](n)·[(DMF)(3)·(EtOH)(0.25)·(H(2)O)(4)](n) (2) and [Ni(4)(44pba)(8)](n)·[(DMF)(3.5)·(EtOH)·(H(2)O)(1.5)](n) (3) were synthesized by solvothermal methods and structurally characterized. Compounds 2 and 3 are isostructural but differ in their solvent content. Each is a 2D-network which forms a spiral parallel to [001], giving rise to three distinct large channels, accounting for some 47% of the unit cell volume. Both 2 and 3 display water-induced phase transformations with chromotropism, which has been confirmed by TGA and XRPD analysis. Solvatochromism in 2 is also evident with crystals exhibiting a range of colours depending on the solvent included. This phenomenon has been characterized using TGA, XRPD and UV-vis spectrophotometry.

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Section: Kinetics Of Water Sorptionsupporting

confidence: 78%

A new class of thermo- and solvatochromic metal–organic frameworks based on 4-(pyridin-4-yl)benzoic acid

2012

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“…previously reported in the literature, where activation energies are reported over the range 75 -160 kJ mol -1 . [44][45][46] Furthermore, the values of the activation energy obtained for the desorption of DMF for 1 and 2 concur with the conclusions drawn from the thermal analyses and the features of the crystal networks whereby the DMF molecules were described as tightly held inside the framework of 1 while those entrapped in the framework of 2 were held more loosely as a result of the 2D-layers which may glide past one another. The compound 1d was obtained after heating 1 at 150 ºC for 10 h under vacuum.…”

supporting

confidence: 82%

Concomitant Metal Organic Frameworks of Cobalt(II) and 3-(4-Pyridyl)benzoate: Optimized Synthetic Conditions of Solvatochromic and Thermochromic Systems

Mehlana

Bourne

Ramon

et al. 2013

Crystal Growth & Design

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Two coordination networks: {[Co(34pba) 2 ]•DMF} n (1 and 2), where 34pba is 3-(4-pyridyl)benzoate, were prepared by solvothermal methods. 1 is a 3D metal organic framework formed by linking [Co 2 (34pba) 8 ] clusters in a bcu net. 2 consists of single [Co(34pba) 4 ] units in a tetragonal plane net of sql topology. The thermal conditions leading to their selective synthesis were established: 120°C for 1 and 75°C for 2. Their structures were solved and their thermal

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“…As shown in Figure , a plot (in green) of ( φ 1 + φ 2 ) – the sum of the out‐of‐plane bend angles in the seven‐membered ring – vs. φ 3 – the interplanar angle between benzene rings – for a number of noncomplexed 5 H ‐dibenzo[ a,d ]cycloheptatrienols is rectilinear, with a correlation coefficient of 0.97; several of these molecules (as do their cobalt complexes) adopt multiple independent structures within the same unit cell, thus giving additional data points; these alkynols have also been studied when cocrystallized with a range of other aromatics , , . The analogous plot (in red) for the structurally characterized (5‐alkynyl‐5 H ‐dibenzo[ a , d ]cycloheptatrien‐5‐ol)Co 2 (CO) 6 clusters, is also linear ( R 2 = 0.95), but is clearly displaced to larger dihedral angles, and with a markedly steeper slope (0.81 vs. 0.44).…”

Section: Resultsmentioning

confidence: 99%

“…(Red) for (5‐alkynyl‐5 H ‐dibenzo[ a,d ]cycloheptatrien‐5‐ol)Co 2 (CO) 4 L 2 clusters: a , R = H, L = CO; b , R = Ph, L = CO; c , R = H, L = CO; d , R = C 6 H 4 ‐ p ‐CF 3 , L = CO; e , R = Ph, L = CO; f , R = H, L–L = dppm; g , R = SiMe 3 , L = CO . (Green) for 5‐substituted‐5 H ‐dibenzo[ a,d ]cycloheptatrien‐5‐ols [ DBZ(OH) R: 1 , DBZ(OH) –C≡C–C≡C– (HO)DBZ · pyridine;[19a] 2 , DBZ(OH) ‐C 6 H 4 ‐ p ‐OMe · xylene;[19b] 3 , DBZ(OH) ‐C 6 H 4 ‐ p ‐OMe · bromobenzene;[19b] 4 , DBZ(OH) ‐C 6 H 4 ‐ p ‐OMe · chlorobenzene;[19b] 5 , DBZ(OH) –C≡C–C≡C– (HO)DBZ · acetone;[19a] 6 , DBZ(OH) ‐C 6 H 4 ‐ p ‐OMe · benzene;[19b] 7 , DBZ(OH) ‐C 6 H 4 ‐ p ‐OMe · benzene;[19b] 8 , DBZ(OH) ‐C 6 H 4 ‐ p ‐OMe;[19b] 9 , DBZ(OH) ‐C 6 H 4 ‐ p ‐OMe · pyridine;[19b] 10 , DBZ(OH) –C≡C–SiMe 3 ; 11 , DBZ(OH) –C≡C–H] . (Blue) for (5‐alkynyl‐5 H ‐dibenzo[ a,d ]cycloheptatrien‐5‐ol)Co 2 (CO) 4 L clusters: A , R = Si(CHMe 2 ) 3 , L = CO; B , R = C 6 H 4 ‐ m ‐F, L = CO; C , R = Ph, L = CO; D , R = SiMe 3 , L = PPh 3 ; E , R = C 6 H 4 ‐ p ‐CN, L = CO; F , R = SiMe 3 , L = CO] …”

Section: Resultsmentioning

confidence: 99%

Alkynyldicobalt Derivatives of Dibenzosuberenol and Dibenzocyclooctatrien‐5‐ol: Ring Conformations, Ease of Carbonyl Elimination and Relevance to Pauson–Khand Cyclization

et al. 2017

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Under very mild conditions, (5-alkynyl-5H-dibenzo-[a,d]cycloheptatrien-5-ol)Co 2 (CO) 6 clusters 1 lose a carbon monoxide ligand and form the corresponding η 2 -alkene-μ-alkyne-Co 2 (CO) 5 complexes 2 (the first isolated examples of the initial phase of the Pauson-Khand reaction). This behaviour is not paralleled by the homologue in which an additional methylene group has been inserted within the seven-membered ring, as in the [5-alkynyl-6H-dibenzo[a,e]cyclooctatrienol]Co 2 -(CO) 6 system 8, for which several X-ray crystal structures are reported. The apparent additional flexibility of this molecular framework does not translate into conformations appropriate for the formation of η 2 -alkene-μ-alkyne-Co 2 (CO) 5 complexes. The relative inertness of the ethynyl complex 1a, compared [a] 2051 ing of the seven-membered ring towards the cluster, such that this distance, d, shortens to 2.04 Å. In contrast, in the eightmembered ring complex 8a, not only is the corresponding bond-centroid-to-cobalt distance, d, considerably longer (ca. 4.2 Å), but the C11=C12 double bond is also twisted away from the horizontal, as depicted in Figure 6b.

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Inclusion of pyridine and acetone by a diol host: structure, thermal stability and kinetics of desolvation

Cited by 16 publications

References 15 publications

A new class of thermo- and solvatochromic metal–organic frameworks based on 4-(pyridin-4-yl)benzoic acid

A new class of thermo- and solvatochromic metal–organic frameworks based on 4-(pyridin-4-yl)benzoic acid

Concomitant Metal Organic Frameworks of Cobalt(II) and 3-(4-Pyridyl)benzoate: Optimized Synthetic Conditions of Solvatochromic and Thermochromic Systems

Alkynyldicobalt Derivatives of Dibenzosuberenol and Dibenzocyclooctatrien‐5‐ol: Ring Conformations, Ease of Carbonyl Elimination and Relevance to Pauson–Khand Cyclization

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