Spectroscopy — Semiconducting Supramolecular Organic Frameworks Assembled from a Near-Infrared Fluorescent Macrocyclic Probe and Fullerenes

8 measurement groups · 23 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

UV-vis-NIR absorption spectroscopic titration; 1:1 binding fit

UV-visible and optical absorption spectroscopy

solution host-guest complex of 2 with C60 · Unknown

2 at 1 x 10^-6 M against C60 from 0 to 2.8 x 10^-5 M in anhydrous toluene at 298 K; fit at 655 nm.

Temperature: 298
Geometry: solution cuvette spectroscopy
Context: solution analogue of C60 SOF
Measurement source: S31 · Additional photophysical data · Figure S34

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C60 binding constant from absorption titration	Ka = 2.3 x 10^4 +/- 0.7 x 10^4 M^-1	23000 M^-1	+/- 0.7 x 10^4 M^-1	Caption Exact Reported	S31 · Figure S34 caption · Figure S34
C60 global-fit log(K) from absorption titration	log(K) = 3.0008 +/- 0.1539	—	+/- 0.1539	Caption Exact Reported	S31 · Figure S34 caption · Figure S34

NIR fluorescence spectroscopic titration; 1:1 binding fit

Photoluminescence and fluorescence spectroscopy

solution host-guest complex of 2 with C60 · Unknown

2 at 1 x 10^-6 M against C60 from 0 to 5.0 x 10^-5 M in anhydrous toluene, excitation 660 nm, 298 K.

Temperature: 298
Geometry: solution cuvette fluorescence
Context: solution analogue of C60 SOF
Measurement source: S34 · Fluorescence spectroscopic results · Figure S41

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C60 binding constant from NIR emission titration	Ka = 1.9 x 10^4 M^-1 +/- 0.4 x 10^4	19000 M^-1	+/- 0.4 x 10^4 M^-1	Caption Exact Reported	S34 · Figure S41 caption · Figure S41

UV-vis-NIR absorption spectroscopic titration; 1:1 binding fit

UV-visible and optical absorption spectroscopy

solution host-guest complex of 2 with C70 · Unknown

2 at 1 x 10^-6 M against C70 from 0 to 5.0 x 10^-5 M in anhydrous toluene at 298 K; fit at 655 nm.

Temperature: 298
Geometry: solution cuvette spectroscopy
Context: solution analogue of C70 SOF
Measurement source: S30 · Additional photophysical data · Figure S32

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C70 binding constant from absorption titration	Ka = 1.6 x 10^4 +/- 0.32 x 10^4 M^-1	16000 M^-1	+/- 0.32 x 10^4 M^-1	Caption Exact Reported	S30 · Figure S32 caption · Figure S32
C70 global-fit log(K) from absorption titration	log(K) = 4.2426 +/- 0.0085	—	+/- 0.0085	Caption Exact Reported	S30 · Figure S32 caption · Figure S32
C70-induced meso-phenylene proton shift at 7.39 ppm	Delta delta 0.47 ppm at initial 7.39 ppm	—	—	Text Exact Reported	p003 / article p.11499 · 1H NMR Spectroscopic Titrations · Figure S20
C70-induced meso-phenylene proton shift at 6.18 ppm	Delta delta 0.07 ppm at initial 6.18 ppm	—	—	Text Exact Reported	p003 / article p.11499 · 1H NMR Spectroscopic Titrations · Figure S20

NIR fluorescence spectroscopic titration; 1:1 binding fit

Photoluminescence and fluorescence spectroscopy

solution host-guest complex of 2 with C70 · Unknown

2 at 1 x 10^-6 M against C70 from 0 to 5.0 x 10^-5 M in anhydrous toluene, excitation 670 nm, 298 K.

Temperature: 298
Geometry: solution cuvette fluorescence
Context: solution analogue of C70 SOF
Measurement source: S33 · Fluorescence spectroscopic results · Figure S39

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
C70 binding constant from NIR emission titration	Ka = 1.8 x 10^4 M^-1 +/- 0.16 x 10^4	18000 M^-1	+/- 0.16 x 10^4 M^-1	Caption Exact Reported	S33 · Figure S39 caption · Figure S39
Emission maximum shift during fullerene titration in toluene	blue-shifted from 808 to 806 nm	—	—	Text Exact Reported	p004 / article p.11500 · Photophysical Studies · Figure 3e-f; Figures S40 and S42
NIR emission maximum of receptor 2 in toluene	808 nm, lambda_ex = 660 nm	—	—	Text Exact Reported	p004 / article p.11500 · Photophysical Studies · Figure 3d

Solid-state femtosecond transient absorption spectroscopy with global-target analysis

Transient absorption spectroscopy

single crystals of (2*C60)n SOF · Single Crystal

Freshly grown single crystals packed between two quartz slides under nitrogen; excitation 676 nm.

Temperature: 298
Atmosphere: nitrogen for packed solid-state TAS samples
Geometry: single crystals between quartz slides
Context: C60-loaded SOF
Measurement source: S40-S41 · Additional TAS data · Figure S50

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
*Solid (2C60)n long-lived CT lifetime**	2.20 ns	—	—	Caption Exact Reported	S40 · Figure S50 caption · Figure S50
*Solid (2C60)n short-lived CT lifetime**	14.5 ps	—	—	Caption Exact Reported	S40 · Figure S50 caption · Figure S50

Solid-state femtosecond transient absorption spectroscopy with global-target analysis

Transient absorption spectroscopy

single crystals of (2*C70)n SOF · Single Crystal

Freshly grown single crystals packed between two quartz slides under nitrogen; excitation 676 nm.

Temperature: 298
Atmosphere: nitrogen for packed solid-state TAS samples
Geometry: single crystals between quartz slides
Context: C70-loaded SOF
Measurement source: p006 / article p.11502 · Figure 4 caption · Figure 4g-i

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
*Solid (2C70)n long-lived CT lifetime**	750 ps	—	—	Caption Exact Reported	p006 / article p.11502 · Figure 4 caption · Figure 4i
*Solid (2C70)n short-lived CT lifetime**	24.5 ps	—	—	Caption Exact Reported	p006 / article p.11502 · Figure 4 caption · Figure 4i
*Solid (2C70)n triplet lifetime**	>10 ns	—	>	Caption Range	p006 / article p.11502 · Figure 4 caption · Figure 4i

Femtosecond transient absorption spectroscopy with global-target analysis

Transient absorption spectroscopy

solution host-guest complex of 2 with C70 · Unknown

Benzonitrile solution, excitation 676 nm, 360 nJ, 298 K, delays between 1 and 5500 ps.

Temperature: 298
Atmosphere: Ar-saturated
Geometry: solution cuvette TAS
Context: 2, (2*C60)n and (2*C70)n solution analogues
Measurement source: S42 · Additional TAS data · Table S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
*(2C60)n benzonitrile fullerene CT lifetime**	35.5 ps	—	—	SI Table Exact Reported	S42 · Table S5 · Table S5
*(2C70)n benzonitrile fullerene CT lifetime**	28.5 ps	—	—	SI Table Exact Reported	S42 · Table S5 · Table S5

Femtosecond transient absorption spectroscopy with global-target analysis

Transient absorption spectroscopy

solution host-guest complex of 2 with C70 · Unknown

Toluene solution, excitation 676 nm, 360 nJ, 298 K, delays between 1 and 5500 ps.

Temperature: 298
Atmosphere: Ar-saturated for SOF solution data
Geometry: solution cuvette TAS
Context: 2, (2*C60)n and (2*C70)n solution analogues
Measurement source: S41-S42 · Additional TAS data · Table S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
*(2C60)n toluene fullerene CT lifetime**	75.4 ps	—	—	SI Table Exact Reported	S42 · Table S4 · Table S4
*(2C60)n toluene charge-separated-state lifetime**	706.2 ps	—	—	SI Table Exact Reported	S42 · Table S4 · Table S4
*(2C70)n toluene fullerene CT lifetime**	66.7 ps	—	—	SI Table Exact Reported	S42 · Table S4 · Table S4
*(2C70)n toluene fullerene triplet lifetime**	> 10 ns	—	>	SI Table Range	S42 · Table S4 · Table S4
Receptor 2 toluene SAS1 lifetime	5.3 ps	—	—	SI Table Exact Reported	S41-S42 · Table S4 · Table S4
Receptor 2 toluene charge-separated-state lifetime	859.5 ps	—	—	SI Table Exact Reported	S41-S42 · Table S4 · Table S4