Data from: Evaluating Coordinative Binding Mechanisms through Experimental and Computational Studies of Methoxy-substituted Arylazothioformamide Copper(I) Complexes
	DOI: 10.7923/2z54-2v65

Data, code and/or products within this dataset support the follwoing manuscript:
	Manuscript Title:  Evaluating Coordinative Binding Mechanisms through Experimental and Computational Studies of Methoxy-substituted Arylazothioformamide Copper(I) Complexes
	Journal: European Journal of Inorganic Chemistry
	DOI: 10.1002/ejic.202200421

Description/Abstract:
	UV-Vis spectroscopic titration studies of ATF ligands 6, 8 and 10 with Cu salts were prepared as follows: ligand solutions were prepared to 1.45 x 10-4 M in acetonitrile.  1.2 mL of ATF solution was added to a quartz cuvette. Titrations were performed with Cu halide salts and [N(Bu4)2(µ-I)-Cu2I4] utilizing 1.35 mM stock solutions in acetonitrile and sequentially adding 13 µL (roughly 0.1 equivalent of metal salt) until reaching a metal salt concentration of three equivalents (a final volume of 2.0 mL); [(CH3CN)4CuI]BF4 salts titrations were performed in the same manner as above to a final 1.5 equivalents. Each titration was performed in triplicate. 

	**Data Use**:
	*License*: (CC-BY 4.0)[https://creativecommons.org/licenses/by/4.0/]
    *Citation*: Pradhan, R., Groner, V., Gutman, K. L., Larson, G. E., Kan, Y., Zhang, Q., Heiden, Z., Roll, M., Moberly, J., & Waynant, K. (2022). Data from: Evaluating Coordinative Binding Mechanisms through Experimental and Computational Studies of Methoxy-substituted Arylazothioformamide Copper(I) Complexes [Data set]. University of Idaho. https://doi.org/10.7923/2Z54-2V65

Resource URL: https://data.nkn.uidaho.edu/dataset/data-evaluating-coordinative-binding-mechanisms-through-experimental-and-computational

Creator(s):	
	1. Full Name: Rabina Pradhan
		Unique identifier: NULL
		Affiliation(s): University of Idaho
	2. Full Name: Vincent M. Groner
		Unique identifier: https://orcid.org/0000-0002-9158-9441
		Affiliation(s): University of Idaho
	3. Full Name: Kaylaa L. Gutman
		Unique identifier: NULL
		Affiliation(s): University of Idaho
	4. Full Name: Garrett E. Larson
		Unique identifier: NULL
		Affiliation(s): University of Idaho
	5. Full Name: Yuwei Kan
		Unique identifier: NULLL
		Affiliation(s): University of Idaho
	6. Full Name: Qiang Zhang
		Unique identifier: https://orcid.org/0000-0001-7327-9047
		Affiliation(s): Washington State University
	7. Full Name: Zachariah M. Heiden
		Unique identifier: https://orcid.org/0000-0002-7192-4441
		Affiliation(s): Washington State University
	8. Full Name: Mark F. Roll
		Unique identifier: https://orcid.org/0000-0003-4701-1922
		Affiliation(s): University of Idaho
	9.Full Name: James G. Moberly
		Unique identifier: https://orcid.org/0000-0003-0950-0952
		Affiliation(s): University of Idaho
	10.Full Name: Kristopher V. Waynant
		Unique identifier: https://orcid.org/0000-0002-4096-5726
		Affiliation(s): University of Idaho

Other Contributor(s): NULL

Publisher: University of Idaho

Publication Year: 2022
	
Language(s): American English

Subject(s): 
	1. Natural Sciences
		1.4 Chemical Sciences

Keywords/Tags: UV vis titration, chemistry, meta-methoxyATF, copper(I) salts 

Resource Type General: Dataset
		
Dates: NULL

Date available for the public: 2022-10-05 

Sizes: 27.8 MB
 
Format(s): txt, xlsx
 
Version: NULL

Funding References: NULL
 
Spatial/Geographical Coverage Location: NULL
 
Temporal Coverage: NULL
 
Granularity of the Data: NULL 
 
Contact Info: 
	Contact Name: Kristopher V. Waynant
	Contact Email: kwaynant@uidaho.edu
 
Related Content:   
	Peer Reviewed Manuscript-European Journal of Inorganic Chemistry | https://doi.org/10.1002/ejic.202200421	

Data/Code Files:
	readme.txt: readme.txt file for entire dataset
	
	m-MeO-ATF: File directory contains the UV-Vis titration data files for the meta-methoxyATF with various copper(I) salts starting at a concentration of 1.45 x 10-4M.
		m-MeO-ATF-(NBu4)Cu2I4.xlsx: Data file contains the titration data for three trials of additions of the 2(NBu4)Cu2I4 species into m-methoxyATF. Each file represents a separate titration experiment in the triplicated study.
		m-MeO-ATF-Cu(I)BF4.xlsx: Data file contains the titration data for three trials of additions of the Cu(I)BF4  species into m-methoxyATF. Each file represents a separate titration experiment in the triplicated study.
		m-MeO-ATF-Cu(I)Br.xlsx: Data file contains the titration data for three trials of additions of the Cu(I)Br  species into m-methoxyATF. Each file represents a separate titration experiment in the triplicated study.
		m-MeO-ATF-Cu(I)I.xlsx: Data file contains the titration data for three trials of additions of the Cu(I)I  species into m-methoxyATF. Each file represents a separate titration experiment in the triplicated study.
	
	o-MeO-ATF: Data directory contains the UV-Vis titration data files for the ortho-methoxyATF with various copper(I) salts starting at a concentration of 1.45 x 10-4M. 
		o-MeO-ATF-(Nbu4)2(CuI)2.xlsx: Data file contains the titration data for three trials of additions of the 2(NBu4)Cu2I4 species into o-methoxyATF. Each file represents a separate titration experiment in the triplicated study.
		o-MeO-ATF-Cu(I)BF4.xlsx: Data file contains the titration data for three trials of additions of the Cu(I)BF4  species into o-methoxyATF. Each file represents a separate titration experiment in the triplicated study.
		o-MeO-ATF-Cu(I)Br.xlsx: Data file contains the titration data for three trials of additions of the Cu(I)Br  species into o-methoxyATF. Each file represents a separate titration experiment in the triplicated study.
		o-MeO-ATF-Cu(I)I.xlsx: Data file contains the titration data for three trials of additions of the Cu(I)I  species into o-methoxyATF. Each file represents a separate titration experiment in the triplicated study. 
	
	p-MeO-ATF: File directory contains the UV-Vis titration data for the para-methoxyATF with various copper(I) salts starting at a concentration of 1.45 x 10-4M.
		p MeO ATF-Cu(I)I.xlsx: Data file contains the titration data for three trials of additions of the Cu(I)I  species into p-methoxyATF. Each file represents a separate titration experiment in the triplicated study.
		p-MeO-2(NBu4)Cu2I4.xlsx: Data file contains the titration data for three trials of additions of the 2(NBu4)Cu2I4 species into p-methoxyATF. Each file represents a separate titration ixperiment in the triplicated study. 
		p-MeO-ATF-Cu(I)BF4.xlsx: Data file contains the titration data for three trials of additions of the Cu(I)BF4  species into p-methoxyATF. Each file represents a separate titration experiment in the triplicated study. 
		p-MeO-ATF-Cu(I)Br.xlsx: Data file contains the titration data for three trials of additions of the Cu(I)Br  species into p-methoxyATF. Each file represents a separate titration experiment in the triplicated study. 