Spectroscopy — Effects of intervalence charge transfer interaction between π-stacked mixed valent tetrathiafulvalene ligands on the electrical conductivity of 3D metal-organic frameworks

12 measurement groups · 27 results

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

Cs-MOF 4 · Powder

Shimadzu UV-2600/ISR-2600 Plus (400-1400 nm) and Cary 7000 up to 2400 nm; direct optical band gap from Tauc plots.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
weak IVCT-like NIR feature	very weak ~1900 nm peak	—	—	Text Approximate	13385 · Optical properties and IVCT interaction · Fig. 5
direct optical band gap Eopt	2.11	—	—	Table Exact Reported	13385 · Optical properties and IVCT interaction · Table 2/Fig. 6

K-MOF 2 · Powder

Shimadzu UV-2600/ISR-2600 Plus (400-1400 nm) and Cary 7000 up to 2400 nm; direct optical band gap from Tauc plots.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
neutral TTFTC ligand band position	ca. 500 nm	—	—	Text Approximate	13385 · Optical properties and IVCT interaction · Fig. 5
direct optical band gap Eopt	1.99	—	—	Table Exact Reported	13385 · Optical properties and IVCT interaction · Table 2/Fig. 6

K-MOF 2-ox · Powder

Shimadzu UV-2600/ISR-2600 Plus (400-1400 nm) and Cary 7000 up to 2400 nm; direct optical band gap from Tauc plots.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
IVCT NIR band position	ca. 2000 nm (ca. 5000 cm^-1)	—	—	Text Approximate	13385 · Optical properties and IVCT interaction · Fig. 5
TTFTC radical-cation band position	ca. 750 nm (ca. 13300 cm^-1)	—	—	Text Approximate	13385 · Optical properties and IVCT interaction · Fig. 5
direct optical band gap Eopt	1.35	—	—	Table Exact Reported	13385 · Optical properties and IVCT interaction · Table 2/Fig. 6

Na-MOF 1-ox · Powder

Shimadzu UV-2600/ISR-2600 Plus (400-1400 nm) and Cary 7000 up to 2400 nm; direct optical band gap from Tauc plots.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
IVCT NIR band position	ca. 2000 nm (ca. 5000 cm^-1)	—	—	Text Approximate	13385 · Optical properties and IVCT interaction · Fig. 5
TTFTC radical-cation band position	ca. 750 nm (ca. 13300 cm^-1)	—	—	Text Approximate	13385 · Optical properties and IVCT interaction · Fig. 5
direct optical band gap EoptMarked as a best value within this paper	1.33	—	—	Table Exact Reported	13385 · Optical properties and IVCT interaction · Table 2/Fig. 6

Rb-MOF 3 · Powder

Shimadzu UV-2600/ISR-2600 Plus (400-1400 nm) and Cary 7000 up to 2400 nm; direct optical band gap from Tauc plots.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
neutral TTFTC ligand band position	ca. 500 nm	—	—	Text Approximate	13385 · Optical properties and IVCT interaction · Fig. 5
direct optical band gap Eopt	2.12	—	—	Table Exact Reported	13385 · Optical properties and IVCT interaction · Table 2/Fig. 6

Rb-MOF 3-ox · Powder

Shimadzu UV-2600/ISR-2600 Plus (400-1400 nm) and Cary 7000 up to 2400 nm; direct optical band gap from Tauc plots.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
IVCT NIR band position	ca. 2000 nm (ca. 5000 cm^-1)	—	—	Text Approximate	13385 · Optical properties and IVCT interaction · Fig. 5
TTFTC radical-cation band position	ca. 750 nm (ca. 13300 cm^-1)	—	—	Text Approximate	13385 · Optical properties and IVCT interaction · Fig. 5
direct optical band gap Eopt	1.37	—	—	Table Exact Reported	13385 · Optical properties and IVCT interaction · Table 2/Fig. 6