This README_Parker-Thiophenes_Raman_dataset.txt file was generated on 8th December 2022 by Prof. Stewart F. Parker.

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GENERAL INFORMATION
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Title of Dataset: Data supporting the publication: "A multi-wavelength Raman study of some oligothiophenes and polythiophene."

Author Information (Name, Institution, Address, Email)
	Principal Investigator: 	Prof Stewart F. Parker:			ISIS Neutron and Muon Source, STFC Rutherford Appleton Laboratory, Chilton, Oxon, OX11 0QX, UK (stewart.parker@stfc.ac.uk)
	Co-investigators: 			Jessica E. Trevelyan:			ISIS Neutron and Muon Source, STFC Rutherford Appleton Laboratory, Chilton, Oxon, OX11 0QX, UK
								Dr Timothy Smith:					Renishaw plc, New Mills, Wotton-under-Edge, Gloucestershire. GL12 8JR, UK
								Dr Kenneth P.J. Williams			Renishaw plc, New Mills, Wotton-under-Edge, Gloucestershire. GL12 8JR, UK

Date of data collection: 2nd March 2017 

Geographic location of data collection: Renishaw plc, New Mills, Wotton-under-Edge, Gloucestershire. GL12 8JR, UK
					


Information about funding sources or sponsorship that supported the collection of the data: 
The STFC Rutherford Appleton Laboratory is thanked for funding via RB1720055.



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SHARING/ACCESS INFORMATION
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This dataset is licensed by the rights-holder(s) under a Creative Commons Attribution 4.0 International Licence (CC-BY): https://creativecommons.org/licenses/by/4.0/.

Recommended citation for the data:  S.F. Parker (2023). Data supporting the publication: A multi-wavelength Raman study of some oligothiophenes and polythiophene" eData: the STFC Research Data Repository (https://edata.stfc.ac.uk/ ). DOI (this can be obtained from the ‘view item’ page, under ‘URI.’).  

Citation for and links to publications that cite or use the data: S.F. Parker et al, Physchem (2023).

					

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DATA & FILE OVERVIEW
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This dataset supports the publication: A multi-wavelength Raman study of some oligothiophenes and polythiophene", (S.F. Parker et al, Physchem (2023)).
The dataset consists of this README file, six zip files: 1-Raman-325nm-spectra.zip, 2-Raman-405nm-spectra.zip, 3-Raman-532nm-spectra.zip, 4-Raman-633nm-spectra.zip, 5-Raman-785nm-spectra.zip and 6-Raman-1064nm-spectra.zip and an image file: Oligothiophenes.jpg.

1-Raman-325nm-spectra.zip contains the files:  Bithiophene_325nm.dat, Octithiophene_325nm.dat, Polythiophene_325nm.dat. 
2-Raman-405nm-spectra.zip contains the files:  Bithiophene_405nm.dat, Octithiophene_40nm.dat, Polythiophene_405nm.dat, Quartithiophene_405nm.dat, Sexithiophene_405nm.dat.
3-Raman-532nm-spectra.zip contains the files:  Bithiophene_532nm.dat, Octithiophene_532nm.dat, Polythiophene_532nm.dat, Sexithiophene_532nm.dat, Terthiophene_325nm.dat. Note that there is an pproximately 11 cm-1 calibration error in the 532 nm data.
4-Raman-633nm-spectra.zip contains the file:  Polythiophene_633nm.dat.
5-Raman-785nm-spectra.zip contains the files:  Bithiophene_785nm.dat, Octithiophene_785nm.dat, Polythiophene_785nm.dat, Sexithiophene_785nm.dat, Terthiophene_785nm.dat.
6-Raman-1064nm-spectra.zip contains the files:  Bithiophene_1064nm.dat, Octithiophene_1064nm.dat, Polythiophene_1064nm.dat, Quartithiophene_1064nm.dat, Sexithiophene_1064nm.dat, Terthiophene_1064nm.dat.

All of the Raman spectra are present as two column (wavenumber and intensity) ASCII data and may be viewed with any text reader or can be loaded into programs such as Excel or Origin to display the spectra. 

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METHODOLOGICAL INFORMATION
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Raman spectra with 325, 405, 532 and 633 nm were recorded with a Renishaw In Via spectrometer at room temperature. 
Variable temperature Raman spectra (5 – 295 K) were recorded using 532 and 785 nm excitation with a modified Renishaw In Via spectrometer that has been described previously (Adams, M.A.; Parker, S.F.; Fernandez-Alonso, F.; Cutler, D.J.; Hodges, C.; King, A. Simultaneous neutron scattering and Raman scattering. Appl. Spectrosc. 2009, 63, 727-732. [doi: 10.1366/000370209788701107]).
A Bruker FT-Raman spectrometer (64 scans at 4 cm-1 resolution with 10 - 200 mW laser power, 8 times zerofilling) was used to measure spectra with 1064 nm excitation in a quartz cuvette at room temperature and at low (~100 K) temperature after immersion in liquid nitrogen.