Charge Transfer in analogous of TCNQ derived from fluorene with TTF

Salmerón‐Valverde, A.; Robles‐Martínez, J. G.; Zehe, A.

doi:10.1002/crat.2170290524

Cited by 3 publications

(6 citation statements)

References 12 publications

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“…27,28 The absorption of IR (infrared) radiation of isolated F 4 TCNQ was measured as a reference. The spectrum shown in Fig.…”

Section: Degree Of Charge Transfermentioning

confidence: 99%

“…The fraction of charge (ρ) transferred from donor to acceptor (in the ground state) can be estimated by the change of the C≡N stretching vibration frequency ν caused by the CT complex formation. 27,28 The absorption of IR (infrared) radiation of isolated F 4 TCNQ was measured as a reference. The spectrum shown in Fig.…”

Section: Degree Of Charge Transfermentioning

confidence: 99%

“…Based on these numbers and on the ν values for fully ionized F 4 TCNQ 29 , ρ can be calculated with a simple relationship given in Ref. 27 . The results for the charge transfer degree are 0.12 in the case of b 1u and 0.09 for b 2u .…”

Section: Degree Of Charge Transfermentioning

confidence: 99%

“…In general, the fraction of charge (r, in units of e) transferred from the donor to the acceptor (in the ground state) can be estimated by the frequency shift of the CRN stretching modes for which in most cases the shift grows linearly with the charge transfer degree. 27,28 The absorption of IR (infrared) radiation of isolated F 4 TCNQ was measured as a reference. The spectrum shown in Fig.…”

Section: Degree Of Charge Transfermentioning

confidence: 99%

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Charge transfer tuning by chemical substitution and uniaxial pressure in the organic complex tetramethoxypyrene–tetracyanoquinodimethane

Rudloff

Ackermann

Huth

et al. 2015

Phys. Chem. Chem. Phys.

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In the search for novel organic charge transfer salts with variable degrees of charge transfer we have studied the effects of two modifications of the recently synthesized donor-acceptor system [tetramethoxypyrene (TMP)]-[tetracyanoquinodimethane (TCNQ)]. One is of chemical nature by substituting the acceptor TCNQ molecules by F4TCNQ molecules. The second consists in simulating the application of uniaxial pressure along the stacking axis of the system. In order to test the chemical substitution, we have grown single crystals of the TMP-F4TCNQ complex and analyzed its electronic structure via electronic transport measurements, ab initio density functional theory (DFT) calculations and UV/VIS/IR absorption spectroscopy. This system shows an almost ideal geometrical overlap of nearly planar molecules stacked alternately (mixed stack) and this arrangement is echoed by a semiconductor-like transport behavior with an increased conductivity along the stacking direction. This is in contrast to TMP-TCNQ which shows a less pronounced anisotropy and a smaller conductivity response. Our band structure calculations confirm the one-dimensional behavior of TMP-F4TCNQ with pronounced dispersion only along the stacking axis. Infrared measurements illustrating the C≡N vibration frequency shift in F4TCNQ suggest however no improvement in the degree of charge transfer in TMP-F4TCNQ with respect to TMP-TCNQ. In both complexes about 0.1e is transferred from TMP to the acceptor. Concerning the pressure effect, our DFT calculations on the designed TMP-TCNQ and TMP-F4TCNQ structures under different pressure conditions show that application of uniaxial pressure along the stacking axis of TMP-TCNQ may be the route to follow in order to obtain a much more pronounced charge transfer.

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“…27,28 The absorption of IR (infrared) radiation of isolated F 4 TCNQ was measured as a reference. The spectrum shown in Fig.…”

Section: Degree Of Charge Transfermentioning

confidence: 99%

Section: Degree Of Charge Transfermentioning

confidence: 99%

Section: Degree Of Charge Transfermentioning

confidence: 99%

Section: Degree Of Charge Transfermentioning

confidence: 99%

See 2 more Smart Citations

Charge transfer tuning by chemical substitution and uniaxial pressure in the organic complex tetramethoxypyrene–tetracyanoquinodimethane

Rudloff

Ackermann

Huth

et al. 2015

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

show abstract

“…Their shi with respect to the neutral and the reduced forms of the respective acceptor scales linearly with the fraction of charge r (in units of the elementary charge e) transferred from the donor to the acceptor. 53,54 These band shis provide a widely applied criterion for assessing the degree of CT. 6,21,[55][56][57][58][59][60] Arene stretching and bending vibrations of the D component may provide additional information.…”

Section: Ir Uv-vis-nir and Epr Spectroscopymentioning

confidence: 99%