Spectroscopy — Enhancement in electrical conductivity of a porous indium based metal-organic framework upon I2 uptake: Combined experimental and theoretical investigations

4 measurement groups · 16 results

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

I2@1 iodine uptake time-series samples · Powder

Optical band gaps measured for 1 and I2@1 at different iodine uptake times at room temperature.

Temperature: room temperature
Context: Band-gap tuning from pristine to iodine-loaded MOF.
Measurement source: p002 · Optical and Electronic properties · Fig. 5a; Fig. S7

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
optical band gap at 0 days iodine uptake	3.69 eV	—	—	Text Exact Reported	p003 · Results and discussion · Fig. 5a
optical band gap after 10 days iodine uptake	1.88 eV	—	—	Text Exact Reported	p003 · Results and discussion · Fig. 5a
optical band gap after about 15 days iodine uptakeMarked as a best value within this paper	1.55 eV	—	—	Text Exact Reported	p003 · Results and discussion · Fig. S7
optical band gap after 2 days iodine uptake	2.50 eV	—	—	Text Exact Reported	p003 · Results and discussion · Fig. 5a
optical band gap after 4 days iodine uptake	2.35 eV	—	—	Text Exact Reported	p003 · Results and discussion · Fig. 5a
optical band gap after 7 days iodine uptake	2.19 eV	—	—	Text Exact Reported	p003 · Results and discussion · Fig. 5a
optical band gap of pristine compound 1Marked as a best value within this paper	3.73 eV	—	—	Text Exact Reported	p001 · Introduction
optical band gap reduction after iodine uptake	about 58%	—	about	Text Approximate	p003 · Results and discussion

I2@1 - about 10 days · Powder

FT-IR comparison of compounds 1 and I2@1.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
FTIR functional groups retained after iodine uptake	carboxylate and other ligand functional groups present; slight peak shift	—	—	Text Qualitative	p002 · Results and discussion · Fig. S4

I2@1 - about 10 days · Powder

Iodine release from I2@1 dispersed in cyclohexane monitored at different time intervals.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
duration of iodine release	about 15 days	—	about	Text Approximate	p003 · Results and discussion · Fig. 4
UV-vis iodine release peak	200 nm	—	—	Text Rounded Reported	p003 · Results and discussion · Fig. 4a
UV-vis iodine release peak	290 nm	—	—	Text Rounded Reported	p003 · Results and discussion · Fig. 4a
UV-vis triiodide-related release peak	360 nm	—	—	Text Rounded Reported	p003 · Results and discussion · Fig. 4a

I2@1 - about 10 days · Powder

XPS analysis for compounds 1 and I2@1.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
I3d3/2 XPS peak in I2@1	633.52 eV	—	—	Text Exact Reported	p002 · Results and discussion · Fig. 3a
I3d5/2 XPS peak in I2@1	621.63 eV	—	—	Text Exact Reported	p002 · Results and discussion · Fig. 3a
I3p3/2 XPS peak in I2@1	876.38 eV	—	—	Text Exact Reported	p002 · Results and discussion · Fig. 3a