Spectroscopy — Dominant Role of Hole Transport Pathway in Achieving Record High Photoconductivity in Two-Dimensional Metal–Organic Frameworks

10 measurement groups · 58 results

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

ATR FTIR spectroscopy

Infrared spectroscopy

Cu-HHTP dried powder · Powder

Solid-sample FTIR on M-HHTP MOFs and HHTP ligand; result applies to all three M-HHTP samples.

Context: all pristine powders
Measurement source: p002-p003 · Results and Discussion · Figure 2a

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
aromatic C=C stretch	1420 cm-1	—	—	Text Exact Reported	p002 · Results and Discussion · Figure 2a
aromatic C=C stretch	1475 cm-1	—	—	Text Exact Reported	p002 · Results and Discussion · Figure 2a
new C=O stretch after reaction	1649 cm-1	—	—	Text Exact Reported	p002 · Results and Discussion · Figure 2a
HHTP OH stretch before metallation	broad OH stretch at approx 3300 cm-1 vanishes after metalation	—	—	Text Approximate	p002 · Results and Discussion · Figure 2a

femtosecond optical transient absorption (OTA)

Transient absorption spectroscopy

Cu-HHTP film on glass substrate · Thin Film

400 nm excitation; film sample on glass translated continuously; white-light probe 420-750 nm.

Geometry: film on glass
Context: pristine Cu-HHTP
Measurement source: p004 · Results and Discussion · Figure 4a,c; Table S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
OTA 470 nm fit A1 (Cu-HHTP)	43.8	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit A2 (Cu-HHTP)	11.7	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit A3 (Cu-HHTP)	44.5	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit tau1 (Cu-HHTP)	0.99	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit tau2 (Cu-HHTP)	10.95	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit tau3 (Cu-HHTP)	35400	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit A1 (Cu-HHTP)	57.6	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit A2 (Cu-HHTP)	13.9	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit A3 (Cu-HHTP)	28.5	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit tau1 (Cu-HHTP)	0.24	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit tau2 (Cu-HHTP)	3.97	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit tau3 (Cu-HHTP)	35600	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
Cu-HHTP excited-state absorption band	positive band at approx 550 nm	—	—	Text Approximate	p004 · Results and Discussion · Figure 4a
Cu-HHTP ground-state bleach band	negative band centered at approx 680 nm	—	—	Text Approximate	p004 · Results and Discussion · Figure 4a
early-time shifted isosbestic point	570 nm	—	—	Text Exact Reported	p004 · Results and Discussion · Figure 4a
Cu-HHTP isosbestic point	610 nm	—	—	Text Exact Reported	p004 · Results and Discussion · Figure 4a
late-time shifted isosbestic point	560 nm	—	—	Text Exact Reported	p004 · Results and Discussion · Figure 4a

femtosecond optical transient absorption (OTA)

Transient absorption spectroscopy

Cu/Zn-HHTP film on glass substrate · Thin Film

400 nm excitation; Table S4 multiexponential fit at 470 and 680 nm.

Geometry: film on glass
Context: mixed-metal control
Measurement source: p010 / SI p.S9 · S6 · Figure S6; Table S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
OTA 470 nm fit A1 (Cu/Zn-HHTP)	54.8	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit A2 (Cu/Zn-HHTP)	13.4	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit A3 (Cu/Zn-HHTP)	31.8	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit tau1 (Cu/Zn-HHTP)	0.83	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit tau2 (Cu/Zn-HHTP)	10.11	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit tau3 (Cu/Zn-HHTP)	27300	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit A1 (Cu/Zn-HHTP)	56.5	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit A2 (Cu/Zn-HHTP)	26.1	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit A3 (Cu/Zn-HHTP)	17.4	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit tau1 (Cu/Zn-HHTP)	0.31	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit tau2 (Cu/Zn-HHTP)	6.37	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit tau3 (Cu/Zn-HHTP)	27000	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4

femtosecond optical transient absorption (OTA)

Transient absorption spectroscopy

Zn-HHTP film on glass substrate · Thin Film

400 nm excitation; Table S4 multiexponential fit at 470 and 680 nm.

Geometry: film on glass
Context: Zn control
Measurement source: p004 · Results and Discussion · Figure 4b,c; Table S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
OTA 470 nm fit A1 (Zn-HHTP)	48.5	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit A2 (Zn-HHTP)	20.8	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit A3 (Zn-HHTP)	30.7	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit tau1 (Zn-HHTP)	1.22	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit tau2 (Zn-HHTP)	13.03	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 470 nm fit tau3 (Zn-HHTP)	3449	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit A1 (Zn-HHTP)	55.8	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit A2 (Zn-HHTP)	23.1	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit A3 (Zn-HHTP)	21.1	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit tau1 (Zn-HHTP)	0.99	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit tau2 (Zn-HHTP)	56.17	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4
OTA 680 nm fit tau3 (Zn-HHTP)	1540	—	—	SI Table Exact Reported	p010 / SI p.S9 · S6 · Table S4

diffuse reflectance UV/Visible/NIR spectroscopy

UV-visible and optical absorption spectroscopy

Cu-HHTP dried powder · Powder

Diffuse reflectance spectra of Cu-HHTP, Cu/Zn-HHTP and Zn-HHTP; HHTP ligand solution spectrum in SI.

Context: all pristine powders
Measurement source: p003 · Results and Discussion · Figure 2b and Figure S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
HHTP ligand absorption centre	centered at 275 nm	—	—	Text Rounded Reported	p003 · Results and Discussion · Figure S2
M-HHTP absorption band	350-420 nm	—	—	Text Range	p003 · Results and Discussion · Figure 2b
M-HHTP absorption band	480-720 nm	—	—	Text Range	p003 · Results and Discussion · Figure 2b

steady-state Cu K-edge XANES/EXAFS

X-ray absorption spectroscopy

Cu-HHTP dried powder · Powder

Cu K-edge XAS and FEFF fitting for local Cu environment.

Context: pristine Cu-HHTP
Measurement source: p003 · Results and Discussion · Figure 2c,d; Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu K-edge XANES feature	8.982 keV	—	—	Text Exact Reported	p003 · Results and Discussion · Figure 2c
Cu K-edge XANES feature	8.998 keV	—	—	Text Exact Reported	p003 · Results and Discussion · Figure 2c
Cu-HHTP Cu-O distance	1.95 Angstrom; N=4	—	—	SI Table Exact Reported	p007 / SI p.S6 · S4 · Table S1

steady-state Cu and Zn K-edge XANES/EXAFS

X-ray absorption spectroscopy

Cu/Zn-HHTP dried powder · Powder

Cu and Zn K-edge XAS/EXAFS fitting for mixed-node local environment.

Context: mixed-metal control
Measurement source: p003 · Results and Discussion · Figure 2; Figure S4; Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Cu/Zn-HHTP Cu-O distance	1.94 Angstrom; N=4	—	—	SI Table Exact Reported	p007 / SI p.S6 · S4 · Table S1
Cu/Zn-HHTP Zn-O distance	1.99 Angstrom; N=4	—	—	SI Table Exact Reported	p007 / SI p.S6 · S4 · Table S1

steady-state Zn K-edge XANES/EXAFS

X-ray absorption spectroscopy

Zn-HHTP dried powder · Powder

Zn K-edge XAS/EXAFS fitting for Zn-HHTP.

Context: Zn control
Measurement source: p003 · Results and Discussion · Figure S4; Table S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Zn-HHTP Zn-O distance	1.99 Angstrom; N=4	—	—	SI Table Exact Reported	p007 / SI p.S6 · S4 · Table S1
Zn K-edge 1s-4p transition	9.666 keV	—	—	Text Exact Reported	p003 · Results and Discussion · Figure S4

X-ray transient absorption (XTA)

X-ray absorption spectroscopy

Cu-HHTP film on glass substrate · Thin Film

400 nm optical pump; Cu K-edge difference spectra at 100 ps, 1 ns, 5 ns and 10 ns; beamline 11-ID-D APS.

Geometry: flowing sample stream for XTA
Context: pristine Cu-HHTP
Measurement source: p004-p005 · Results and Discussion · Figure 4d; Figure S7

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
XTA kinetic decay at 80 ns	only decays 70 % at 80 ns	—	—	Text Approximate	p005 · Results and Discussion · Figure S7
XTA reported delay time	100 ps	—	—	Caption Exact Reported	p004 · Results and Discussion · Figure 4d
Cu K-edge transient positive feature	8.99 keV	—	—	Text Rounded Reported	p004-p005 · Results and Discussion · Figure 4d

X-ray transient absorption (XTA) kinetics

X-ray absorption spectroscopy

Cu/Zn-HHTP film on glass substrate · Thin Film

Time dependence of XTA signal compared with Cu-HHTP.

Context: mixed-metal control
Measurement source: p010 / SI p.S9 · S6 · Figure S7

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source