The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)

Simon Payne; Iryna Andrusenko; Francesco Papi; Jason Potticary; Mauro Gemmi; Simon R. Hall

doi:10.1039/d2ce01127a

The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)

Simon Payne, Iryna Andrusenko, Francesco Papi, Jason Potticary, Mauro Gemmi, Simon R. Hall^*

^*Corresponding author for this work

Research output: Contribution to journal › Article (Academic Journal) › peer-review

2 Citations (Scopus)

Abstract

The pure phase syntheses of three novel organic charge transfer complexes, obtained by combining the polyaromatic hydrocarbon triphenylene with 7,7,8,8-tetracyanoquinodimethane (TCNQ) and its fluorinated derivatives, are reported together with their crystal structures determined by 3D electron diffraction. The degree of charge transfer is estimated via examining intramolecular vibrational mode displacements between neutral TCNQFn and its complexes with triphenylene using infrared spectroscopy. The direct optical band gaps of 1.87, 1.76 and 1.70 eV for triphenylene–TCNQFn (n = 0, 2, 4) respectively, are determined via diffuse reflectance spectroscopy. The application of advanced structure determination techniques in combination with spectroscopic methods has allowed us to shed light on compelling charge transfer systems and to gain indications for the design of improved electrical organic conductors.

Original language	English
Pages (from-to)	828-834
Number of pages	7
Journal	CrystEngComm
Volume	25
Issue number	5
DOIs	https://doi.org/10.1039/d2ce01127a
Publication status	Published - 4 Jan 2023

Bibliographical note

Funding Information:
I. A., F. P. and M. G. acknowledge the Regione Toscana for funding the purchase of the ASI TIMEPIX detector through the FELIX project (Por CREO FESR 2014–2020 action). S. R. H., J. P., and S. P. acknowledge the Engineering and Physical Sciences Research Council U.K. (Grants EP/G036780/1 and EP/L015544/1) for funding.

Publisher Copyright:
© 2023 The Royal Society of Chemistry.

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@article{f446bc8121714e118e2221f8575513b2,

title = "The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)",

abstract = "The pure phase syntheses of three novel organic charge transfer complexes, obtained by combining the polyaromatic hydrocarbon triphenylene with 7,7,8,8-tetracyanoquinodimethane (TCNQ) and its fluorinated derivatives, are reported together with their crystal structures determined by 3D electron diffraction. The degree of charge transfer is estimated via examining intramolecular vibrational mode displacements between neutral TCNQFn and its complexes with triphenylene using infrared spectroscopy. The direct optical band gaps of 1.87, 1.76 and 1.70 eV for triphenylene–TCNQFn (n = 0, 2, 4) respectively, are determined via diffuse reflectance spectroscopy. The application of advanced structure determination techniques in combination with spectroscopic methods has allowed us to shed light on compelling charge transfer systems and to gain indications for the design of improved electrical organic conductors.",

author = "Simon Payne and Iryna Andrusenko and Francesco Papi and Jason Potticary and Mauro Gemmi and Hall, {Simon R.}",

note = "Funding Information: I. A., F. P. and M. G. acknowledge the Regione Toscana for funding the purchase of the ASI TIMEPIX detector through the FELIX project (Por CREO FESR 2014–2020 action). S. R. H., J. P., and S. P. acknowledge the Engineering and Physical Sciences Research Council U.K. (Grants EP/G036780/1 and EP/L015544/1) for funding. Publisher Copyright: {\textcopyright} 2023 The Royal Society of Chemistry.",

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doi = "10.1039/d2ce01127a",

language = "English",

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T1 - The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)

AU - Payne, Simon

AU - Andrusenko, Iryna

AU - Papi, Francesco

AU - Potticary, Jason

AU - Gemmi, Mauro

AU - Hall, Simon R.

N1 - Funding Information: I. A., F. P. and M. G. acknowledge the Regione Toscana for funding the purchase of the ASI TIMEPIX detector through the FELIX project (Por CREO FESR 2014–2020 action). S. R. H., J. P., and S. P. acknowledge the Engineering and Physical Sciences Research Council U.K. (Grants EP/G036780/1 and EP/L015544/1) for funding. Publisher Copyright: © 2023 The Royal Society of Chemistry.

PY - 2023/1/4

Y1 - 2023/1/4

N2 - The pure phase syntheses of three novel organic charge transfer complexes, obtained by combining the polyaromatic hydrocarbon triphenylene with 7,7,8,8-tetracyanoquinodimethane (TCNQ) and its fluorinated derivatives, are reported together with their crystal structures determined by 3D electron diffraction. The degree of charge transfer is estimated via examining intramolecular vibrational mode displacements between neutral TCNQFn and its complexes with triphenylene using infrared spectroscopy. The direct optical band gaps of 1.87, 1.76 and 1.70 eV for triphenylene–TCNQFn (n = 0, 2, 4) respectively, are determined via diffuse reflectance spectroscopy. The application of advanced structure determination techniques in combination with spectroscopic methods has allowed us to shed light on compelling charge transfer systems and to gain indications for the design of improved electrical organic conductors.

AB - The pure phase syntheses of three novel organic charge transfer complexes, obtained by combining the polyaromatic hydrocarbon triphenylene with 7,7,8,8-tetracyanoquinodimethane (TCNQ) and its fluorinated derivatives, are reported together with their crystal structures determined by 3D electron diffraction. The degree of charge transfer is estimated via examining intramolecular vibrational mode displacements between neutral TCNQFn and its complexes with triphenylene using infrared spectroscopy. The direct optical band gaps of 1.87, 1.76 and 1.70 eV for triphenylene–TCNQFn (n = 0, 2, 4) respectively, are determined via diffuse reflectance spectroscopy. The application of advanced structure determination techniques in combination with spectroscopic methods has allowed us to shed light on compelling charge transfer systems and to gain indications for the design of improved electrical organic conductors.

UR - https://doi.org/10.1039/D2CE01127A

U2 - 10.1039/d2ce01127a

DO - 10.1039/d2ce01127a

M3 - Article (Academic Journal)

SN - 1466-8033

VL - 25

SP - 828

EP - 834

JO - CrystEngComm

JF - CrystEngComm

IS - 5

ER -

The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)

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