Structure-property correlation of halogen substituted benzothiazole crystals

被引：5

作者：

Thekkeppat, Nipun P. ^{[1
]}

Singla, Labhini ^{[2
]}

Tothadi, Srinu ^{[3
]}

Das, Priyadip ^{[1
]}

Choudhury, Angshuman Roy ^{[2
]}

Ghosh, Soumyajit ^{[1
]}

机构：

[1] SRM Inst Sci & Technol, Dept Chem, Chennai 603203, Tamil Nadu, India

[2] Indian Inst Sci Educ & Res, Dept Chem Sci, Sect 81,Manauli PO, Mohali 140306, Punjab, India

[3] Natl Chem Lab, Organ Chem Div, CSIR, Dr Homi Bhabha Rd, Pune 411008, Maharashtra, India

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2021年 / 1243卷

关键词：

Benzothiazole crystals; Elasticity; Halogen bond; Mechanical properties; ORGANIC-CRYSTALS; DESIGN; BONDS;

D O I：

10.1016/j.molstruc.2021.130765

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We have synthesized 3 benzothiazole crystals (1-3) based on existing knowledge of combining flexibility and optical properties towards achieving applications for flexible optoelectronics. However, one crystal was found to be elastically bendable and was found to comply necessary packing features for elasticity. Other two crystals do not obey packing features for elasticity hence they are brittle in nature. Further, Hirshfeld analysis illustrates that elastic crystal 1 possess more number of weak and dispersive interactions compared to other crystals. These interactions were instrumental in invoking elasticity. Moreover, crystals 1-3 were found to be fluorescent as well at specific excitation wavelengths. Therefore, among these crystals, particularly crystal 1 is considered as more promising candidate for flexible optoelectronics. (C) 2021 Elsevier B.V. All rights reserved.

引用

页数：9

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