A Donor-Acceptor-Donor Structured Organic Conductor with S•••S Chalcogen Bonding

被引：58

作者：

Bai, Monalisa ^{[1
]}

Thomas, Sajesh P. ^{[2
]}

Kottokkaran, Ranjith ^{[1
]}

Nayak, Susanta K. ^{[2
]}

Ramamurthy, Praveen C. ^{[1
]}

Row, T. N. Guru ^{[2
]}

机构：

[1] Indian Inst Sci, Dept Mat Engn, Bangalore 560012, Karnataka, India

[2] Indian Inst Sci, Solid State & Struct Chem Unit, Bangalore 560012, Karnataka, India

来源：

CRYSTAL GROWTH & DESIGN | 2014年 / 14卷 / 02期

关键词：

CHARGE-DENSITY; HALOGEN INTERACTIONS; INTERMOLECULAR INTERACTIONS; CRYSTAL-STRUCTURE; BEDT-TTF; ENERGY; DITHIENYLCYCLOPENTADIENONE; BENZOTHIADIAZOLE; THIOPHENE; PREFERENCES;

D O I：

10.1021/cg401069y

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A novel thiophene derivative 7,9-di(thiophen-2-yl)-8H-cyclopenta[a]acenaphthylen-8-one (DTCPA) is shown to exhibit high electrical conductivity (1.97 x 10(-2) +/- 0.0018 S/cm at RT) in the crystalline state. The material shows two orders of increase in conductivity from normal solid to single crystalline state. The crystal structure has S center dot center dot center dot S chalcogen bonding, C-H center dot center dot center dot O hydrogen bonding, and pi center dot center dot center dot pi stacking as the major intermolecular interactions. The nature and strength of the S center dot center dot center dot S interactions in this structure have been evaluated by theoretical charge density analysis, and its contribution to the crystal packing quantified by Hirshfeld surface analysis. Further, thermal and morphological characterizations have been carried out, and the second harmonic generation (SHG) efficiency has been measured using the Kurtz-Perry method.

引用

页码：459 / 466

页数：8

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