Developing the structure–property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields

Roy, Bibhisan; Reddy, Mohan M.; Hazra, Partha

doi:10.1039/c8sc00143j

Cited by 120 publications

(69 citation statements)

References 60 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Still, the C−H−π interactions reduce the MFC property. On this basis, the ratio (ρ) of % C−H−π to π−π is calculated where the higher value of ρ makes a molecular packing more flexible [22] . Here, the ρ value for ANAP is found to be much higher (205.5) than ANP (4.6) or ANA (13.8) (Figure S9).…”

Section: Figurementioning

confidence: 88%

“…On this basis, the ratio (1) of % CÀ HÀ π to πÀ π is calculated where the higher value of 1 makes a molecular packing more flexible. [22] Here, the 1 value for ANAP is found to be much higher (205.5) than ANP (4.6) or ANA (13.8) ( Figure S9). Such a higher 1 value makes ANAP MFC-active compared to ANA and ANP.…”

mentioning

confidence: 80%

“…Here, the ρ value for ANAP is found to be much higher (205.5) than ANP (4.6) or ANA (13.8) (Figure S9). Such a higher ρ value makes ANAP MFC‐active compared to ANA and ANP [22] …”

Section: Figurementioning

confidence: 99%

“…Such a higher 1 value makes ANAP MFC-active compared to ANA and ANP. [22] Further, void space inside the crystal has a critical role in MFC-feature, and therefore, the void space for these crystals was calculated ( Figure S10). This calculation revealed the lowest amount of void space for ANP (81 Å 3 ) and nearly equal values for ANA (501 Å 3 ) and ANAP (495 Å 3 ).…”

mentioning

confidence: 99%

See 3 more Smart Citations

Mechanofluorochromic Anthryl Phosphonate/Benzoic Acid Cocrystals with a Large Blue Shift: The Role of P=O⋅⋅⋅H Interactions

Prusti

Chakravarty

2020

ChemPlusChem

View full text Add to dashboard Cite

Organophosphonates have a rich and diverse chemistry, but their mechanofluorochromic features have rarely been documented. Herein, we report on cocrystals of anthranylphosphonate with (E)‐4‐(2‐(anthracen‐9‐yl)vinyl)benzoic acid that exhibit reversible mechanofluorochromic properties with large blue shifts. Anisotropic grinding (or pressure of just 25 kPa) maintains the co‐crystals emission features but leads to a pronounced 59 nm (2087 cm−1) blue‐shift. Such an impressive blue‐shift for a cocrystal has not been reported to date. The underlying causes for the blue‐shift were validated by X‐ray diffraction (powder and single crystal) studies and Hirshfeld surface analysis. Twisted molecular conformations and P=O⋅⋅⋅ H/C=O⋅⋅⋅H/C⋅⋅⋅H noncovalent interactions afford molecular arrangements via slip‐stacks with two different pitch angles and relatively larger interlayer distances. The new compound was established as a potential medium for optical recording and security display.

show abstract

Section: Figurementioning

confidence: 88%

mentioning

confidence: 80%

“…Here, the ρ value for ANAP is found to be much higher (205.5) than ANP (4.6) or ANA (13.8) (Figure S9). Such a higher ρ value makes ANAP MFC‐active compared to ANA and ANP [22] …”

Section: Figurementioning

confidence: 99%

mentioning

confidence: 99%

See 2 more Smart Citations

Mechanofluorochromic Anthryl Phosphonate/Benzoic Acid Cocrystals with a Large Blue Shift: The Role of P=O⋅⋅⋅H Interactions

Prusti

Chakravarty

2020

ChemPlusChem

View full text Add to dashboard Cite

show abstract

“…Although various characterization methods exist, identifying the crystal symmetry, that is, the way the atoms are arranged in space, is inarguably the first and most important process in material characterization. This is because the crystallographic structure of a material plays an important role in determining the material properties (structure-property relationship) 6,7 . For a concrete example, consider the magnetism of iron: body centred cubic Fe is ferromagnetic, while face centred cubic Fe shows paramagnetic behaviors 8 .…”

Section: Introductionmentioning

confidence: 99%

Identification of crystal symmetry from noisy diffraction patterns by a shape analysis and deep learning

et al. 2020

View full text Add to dashboard Cite

The robust and automated determination of crystal symmetry is of utmost importance in material characterization and analysis. Recent studies have shown that deep learning (DL) methods can effectively reveal the correlations between X-ray or electron-beam diffraction patterns and crystal symmetry. Despite their promise, most of these studies have been limited to identifying relatively few classes into which a target material may be grouped. On the other hand, the DL-based identification of crystal symmetry suffers from a drastic drop in accuracy for problems involving classification into tens or hundreds of symmetry classes (e.g., up to 230 space groups), severely limiting its practical usage. Here, we demonstrate that a combined approach of shaping diffraction patterns and implementing them in a multistream DenseNet (MSDN) substantially improves the accuracy of classification. Even with an imbalanced dataset of 108,658 individual crystals sampled from 72 space groups, our model achieves 80.12 ± 0.09% space group classification accuracy, outperforming conventional benchmark models by 17–27 percentage points (%p). The enhancement can be largely attributed to the pattern shaping strategy, through which the subtle changes in patterns between symmetrically close crystal systems (e.g., monoclinic vs. orthorhombic or trigonal vs. hexagonal) are well differentiated. We additionally find that the MSDN architecture is advantageous for capturing patterns in a richer but less redundant manner relative to conventional convolutional neural networks. The proposed protocols in regard to both input descriptor processing and DL architecture enable accurate space group classification and thus improve the practical usage of the DL approach in crystal symmetry identification.

show abstract

Precise Molecular Design for High‐Performance Luminogens with Aggregation‐Induced Emission

2019

View full text Add to dashboard Cite

Precise design of fluorescent molecules with desired properties has enabled the rapid development of many research fields. Among the different types of optically active materials, luminogens with aggregation‐induced emission (AIEgens) have attracted significant interest over the past two decades. The negligible luminescence of AIEgens as a molecular species and high brightness in aggregate states distinguish them from conventional fluorescent dyes, which has galvanized efforts to bring AIEgens to a wide array of multidisciplinary applications. Herein, the useful principles and emerging structure–property relationships for precise molecular design toward AIEgens with desirable properties using concrete examples are revealed. The cutting‐edge applications of AIEgens and their excellent performance in enabling new research directions in biomedical theranostics, optoelectronic devices, stimuli‐responsive smart materials, and visualization of physical processes are also highlighted.

show abstract

Developing the structure–property relationship to design solid state multi-stimuli responsive materials and their potential applications in different fields

Abstract: Establishing the structure–property relationship for multi-stimuli responsive mechanochromic materials based on charge transfer luminogens.

Cited by 120 publications

References 60 publications

Mechanofluorochromic Anthryl Phosphonate/Benzoic Acid Cocrystals with a Large Blue Shift: The Role of P=O⋅⋅⋅H Interactions

Mechanofluorochromic Anthryl Phosphonate/Benzoic Acid Cocrystals with a Large Blue Shift: The Role of P=O⋅⋅⋅H Interactions

Identification of crystal symmetry from noisy diffraction patterns by a shape analysis and deep learning

Precise Molecular Design for High‐Performance Luminogens with Aggregation‐Induced Emission

Contact Info

Product

Resources

About