Mixed-Stack Architecture and Solvatomorphism of Trimeric Perfluoro-ortho-Phenylene Mercury complexes with Dithieno[3,2-b:2',3'-d]thiophene

Raúl Castañeda; Victor N. Khrustalev; Alexandr Fonari; Jean-Luc Bredas; Yulia A. Getmanenko; Tatiana V. Timofeeva

doi:10.1016/j.molstruc.2015.07.053

Mixed-Stack Architecture and Solvatomorphism of Trimeric Perfluoro-ortho-Phenylene Mercury complexes with Dithieno[3,2-b:2',3'-d]thiophene

Raúl Castañeda, Victor N. Khrustalev, Alexandr Fonari, Jean-Luc Bredas, Yulia A. Getmanenko, Tatiana V. Timofeeva

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

The formation of the mixed-stack donor-acceptor complex of dithieno[3,2-b:2',3'-d]thiophene (1) and trimeric perfluoro-ortho-phenylene mercury (I) has been investigated under different conditions. Two solvatomorphs – mixed-stack complexes with a 1:1 donor-acceptor ratio and different solvent molecules in the solid state (dichloromethane (2) and dichloroethane (3)) have been obtained and characterized by experimental methods (FT-IR spectroscopy, differential thermogravimetric analysis, and X-ray crystallography) and quantum-chemical calculations at the density functional theory level. The differences in the solid state packing, thermal stability and potential charge-transfer properties of 2 and 3 are discussed.

Original language	English (US)
Pages (from-to)	506-512
Number of pages	7
Journal	Journal of Molecular Structure
Volume	1100
DOIs	https://doi.org/10.1016/j.molstruc.2015.07.053
State	Published - Aug 1 2015

ASJC Scopus subject areas

Organic Chemistry
Spectroscopy
Analytical Chemistry
Inorganic Chemistry

Access to Document

10.1016/j.molstruc.2015.07.053

https://repository.kaust.edu.sa/bitstream/10754/565795/1/1-s2.0-S0022286015301642-main.pdf

Cite this

@article{09671d88413949d98686067b567bd0d0,

title = "Mixed-Stack Architecture and Solvatomorphism of Trimeric Perfluoro-ortho-Phenylene Mercury complexes with Dithieno[3,2-b:2',3'-d]thiophene",

abstract = "The formation of the mixed-stack donor-acceptor complex of dithieno[3,2-b:2',3'-d]thiophene (1) and trimeric perfluoro-ortho-phenylene mercury (I) has been investigated under different conditions. Two solvatomorphs – mixed-stack complexes with a 1:1 donor-acceptor ratio and different solvent molecules in the solid state (dichloromethane (2) and dichloroethane (3)) have been obtained and characterized by experimental methods (FT-IR spectroscopy, differential thermogravimetric analysis, and X-ray crystallography) and quantum-chemical calculations at the density functional theory level. The differences in the solid state packing, thermal stability and potential charge-transfer properties of 2 and 3 are discussed.",

author = "Ra{\'u}l Casta{\~n}eda and Khrustalev, {Victor N.} and Alexandr Fonari and Jean-Luc Bredas and Getmanenko, {Yulia A.} and Timofeeva, {Tatiana V.}",

note = "KAUST Repository Item: Exported on 2020-10-01",

year = "2015",

month = aug,

day = "1",

doi = "10.1016/j.molstruc.2015.07.053",

language = "English (US)",

volume = "1100",

pages = "506--512",

journal = "Journal of Molecular Structure",

issn = "0022-2860",

publisher = "Elsevier",

}

TY - JOUR

T1 - Mixed-Stack Architecture and Solvatomorphism of Trimeric Perfluoro-ortho-Phenylene Mercury complexes with Dithieno[3,2-b:2',3'-d]thiophene

AU - Castañeda, Raúl

AU - Khrustalev, Victor N.

AU - Fonari, Alexandr

AU - Bredas, Jean-Luc

AU - Getmanenko, Yulia A.

AU - Timofeeva, Tatiana V.

N1 - KAUST Repository Item: Exported on 2020-10-01

PY - 2015/8/1

Y1 - 2015/8/1

N2 - The formation of the mixed-stack donor-acceptor complex of dithieno[3,2-b:2',3'-d]thiophene (1) and trimeric perfluoro-ortho-phenylene mercury (I) has been investigated under different conditions. Two solvatomorphs – mixed-stack complexes with a 1:1 donor-acceptor ratio and different solvent molecules in the solid state (dichloromethane (2) and dichloroethane (3)) have been obtained and characterized by experimental methods (FT-IR spectroscopy, differential thermogravimetric analysis, and X-ray crystallography) and quantum-chemical calculations at the density functional theory level. The differences in the solid state packing, thermal stability and potential charge-transfer properties of 2 and 3 are discussed.

AB - The formation of the mixed-stack donor-acceptor complex of dithieno[3,2-b:2',3'-d]thiophene (1) and trimeric perfluoro-ortho-phenylene mercury (I) has been investigated under different conditions. Two solvatomorphs – mixed-stack complexes with a 1:1 donor-acceptor ratio and different solvent molecules in the solid state (dichloromethane (2) and dichloroethane (3)) have been obtained and characterized by experimental methods (FT-IR spectroscopy, differential thermogravimetric analysis, and X-ray crystallography) and quantum-chemical calculations at the density functional theory level. The differences in the solid state packing, thermal stability and potential charge-transfer properties of 2 and 3 are discussed.

UR - http://hdl.handle.net/10754/565795

UR - http://linkinghub.elsevier.com/retrieve/pii/S0022286015301642

UR - http://www.scopus.com/inward/record.url?scp=84939162362&partnerID=8YFLogxK

U2 - 10.1016/j.molstruc.2015.07.053

DO - 10.1016/j.molstruc.2015.07.053

M3 - Article

SN - 0022-2860

VL - 1100

SP - 506

EP - 512

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

ER -

Mixed-Stack Architecture and Solvatomorphism of Trimeric Perfluoro-ortho-Phenylene Mercury complexes with Dithieno[3,2-b:2',3'-d]thiophene

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

CCDC 1024868: Experimental Crystal Structure Determination : tris(mu-3,4,5,6-tetrafluorobenzene-1,2-diyl)-tri-mercury bisthieno[3,2-b:2',3'-d]thiophene 1,2-dichloroethane solvate

CCDC 1025419: Experimental Crystal Structure Determination : bisthieno[3,2-b:2',3'-d]thiophene

CCDC 1024867: Experimental Crystal Structure Determination : tris(mu-3,4,5,6-tetrafluorobenzene-1,2-diyl)-tri-mercury bisthieno[3,2-b:2',3'-d]thiophene dichloromethane solvate

Cite this

Mixed-Stack Architecture and Solvatomorphism of Trimeric Perfluoro-ortho-Phenylene Mercury complexes with Dithieno[3,2-b:2',3'-d]thiophene

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Datasets

CCDC 1024868: Experimental Crystal Structure Determination : tris(mu-3,4,5,6-tetrafluorobenzene-1,2-diyl)-tri-mercury bisthieno[3,2-b:2',3'-d]thiophene 1,2-dichloroethane solvate

CCDC 1025419: Experimental Crystal Structure Determination : bisthieno[3,2-b:2',3'-d]thiophene

CCDC 1024867: Experimental Crystal Structure Determination : tris(mu-3,4,5,6-tetrafluorobenzene-1,2-diyl)-tri-mercury bisthieno[3,2-b:2',3'-d]thiophene dichloromethane solvate

Cite this