Odd–Even Effect in the Elastic Modulii of α,ω-Alkanedicarboxylic Acids

Mishra, Manish Kumar; Varughese, Sunil; Ramamurty, Upadrasta; Desiraju, Gautam R.

doi:10.1021/ja402290h

Cited by 112 publications

(103 citation statements)

References 21 publications

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“…[11][12][13][14][15][16][17][18][19][20] Hence, there is always interest in the crystal structuremechanical property correlations of APIs. (b) Understanding of the mechanical properties of metal organic framework (MOF) materials [21][22][23][24][25] and other organic crystals [26][27][28][29][30][31][32][33][34][35] can help in the design of advanced materials with overall mechanical robustness or specific property such as highly flexible crystals. 36 In certain specialized contexts such as reversible mechanochromism, understanding of the origins of plastic deformation can help in design of better materials.…”

Section: Introductionmentioning

confidence: 99%

“…(a) The melting point, T m , of the organic materials is relatively low vis-à-vis metallic and other inorganic solids. 29,38 This means that a small variation in T can be significant in terms of the homologous temperature, T/T m . (b) The intermolecular interactions that define crystal packing in molecular materials are considerably weaker as compared to metallic, ionic and covalent bonds.…”

Section: Introductionmentioning

confidence: 99%

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Temperature Dependence of Mechanical Properties in Molecular Crystals

Mohamed

Mishra

Al-Harbi

et al. 2015

Crystal Growth & Design

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Quantitative evaluation of the mechanical behavior of molecular materials by nanoindentation technique has gained prominence recently. However, all the reported data has been on room temperature properties despite many interesting phenomena observed in them with variations in temperature. In this paper, we report the results of nanoindentation experiments conducted as a function of temperature, T, between 283 and 343 K, on the major faces of three organic crystals: saccharin, sulfathiazole (form 2), and L-alanine, which are distinct in terms of the number of strength of intermolecular interactions in them. Results show that elastic modulus, E, and hardness, H, decrease markedly with increasing T. While E decreases linearly with T, the variations in H with T are not so, and were observed to drop by ~50% over the range of T investigated. The slope of the linear fits to E vs. T the organic crystals was found to be around 1, which is considerably higher than the values of 0.3 to 0.5 reported in literature for metallic, ionic and covalently bonded crystalline materials. Possible implications of the observed remarkable changes in H for pharmaceutical manufacturing are highlighted.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Temperature Dependence of Mechanical Properties in Molecular Crystals

Mohamed

Mishra

Al-Harbi

et al. 2015

Crystal Growth & Design

Self Cite

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“…The coordination modes can lead to different multidimensional structures depending mostly on the length and flexibility of the chain . In addition, there are other intrinsic physico‐chemical properties of the α,ω,‐alkanedicarboxylic acids due to the odd‐even effect, which is quite well established in the literature . This effect plays an important role in the regular variations of different properties of compounds: melting points, solubility, nanocalorimetry, electrochemical, the emulsifying ability of some surfactants or structural self‐assembling .…”

Section: Introductionmentioning

confidence: 99%

Odd‐Even Effect on Luminescence Properties of Europium Aliphatic Dicarboxylate Complexes

et al. 2019

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The odd–even effect in luminescent [Eu2(L)3(H2O)x]⋅y(H2O) complexes with aliphatic dicarboxylate ligands (L: OXA, MAL, SUC, GLU, ADP, PIM, SUB, AZL, SEB, UND, and DOD, where x=2–6 and y=0–4), prepared by the precipitation method, was observed for the first time in lanthanide compounds. The final dehydration temperatures of the Eu3+ complexes show a zigzag pattern as a function of the carbon chain length of the dicarboxylate ligands, leading to the so‐called odd‐even effect. The FTIR data confirm the ligand–metal coordination via the mixed mode of bridge–chelate coordination, except for the Eu3+‐oxalate complex. XRD results indicate that the highly crystalline materials belong to the monoclinic system. The odd–even effect on the 4 f–4 f luminescence intensity parameters (Ω2 and Ω4) is explained by using an extension of the dynamic coupling mechanism, herein named the ghost‐atom model. In this method, the long‐range polarizabilities (α* ) were simulated by a ghost atom located at the middle of each ligand chain. The values of α* were estimated using the localized molecular orbital approach. The emission intrinsic quantum yield (QnormalLnormalnnormalLnormaln ) of the Eu3+ complexes also presented an the odd‐even effect, successfully explained in terms of the zigzag behavior shown by the Ω2 and Ω4 intensity parameters. Luminescence quenching due to water molecules in the first coordination sphere is also discussed and rationalized.

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“…This, in turn, has enabled establishment of structure-property correlations in the molecular solids. Primers on the nanoindentation technique and the utility of it in crystal engineering are already written by some of us [20,[43][44][45][46][47][48][49][50]. Therefore, we focus on design of molecular solids for specific and targeted mechanical performances.…”

Section: Introductionmentioning

confidence: 99%