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Title: Synthesis and characterization of thallium–salen derivatives for use as underground fluid flow tracers

Abstract

[Tl 2(salo-Bu t)] (1, shown) and [Tl 2(saloPh-Bu t)] (2) were synthesized and characterized for use as monitors for deep subterranean fluid flows.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [1];  [2]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  2. Davidson College, NC (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1473950
Report Number(s):
SAND-2018-10054J
Journal ID: ISSN 1477-9226; ICHBD9; 667859
Grant/Contract Number:  
AC04-94AL85000
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Dalton Transactions
Additional Journal Information:
Journal Volume: 47; Journal Issue: 12; Journal ID: ISSN 1477-9226
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Boyle, Timothy J., Perales, Diana, Rimsza, Jessica M., Alam, Todd M., Boye, Daniel M., Sears, Jeremiah M., Greathouse, Jeffery A., and Kemp, Richard A. Synthesis and characterization of thallium–salen derivatives for use as underground fluid flow tracers. United States: N. p., 2018. Web. doi:10.1039/C7DT04121G.
Boyle, Timothy J., Perales, Diana, Rimsza, Jessica M., Alam, Todd M., Boye, Daniel M., Sears, Jeremiah M., Greathouse, Jeffery A., & Kemp, Richard A. Synthesis and characterization of thallium–salen derivatives for use as underground fluid flow tracers. United States. doi:10.1039/C7DT04121G.
Boyle, Timothy J., Perales, Diana, Rimsza, Jessica M., Alam, Todd M., Boye, Daniel M., Sears, Jeremiah M., Greathouse, Jeffery A., and Kemp, Richard A. Mon . "Synthesis and characterization of thallium–salen derivatives for use as underground fluid flow tracers". United States. doi:10.1039/C7DT04121G. https://www.osti.gov/servlets/purl/1473950.
@article{osti_1473950,
title = {Synthesis and characterization of thallium–salen derivatives for use as underground fluid flow tracers},
author = {Boyle, Timothy J. and Perales, Diana and Rimsza, Jessica M. and Alam, Todd M. and Boye, Daniel M. and Sears, Jeremiah M. and Greathouse, Jeffery A. and Kemp, Richard A.},
abstractNote = {[Tl2(salo-But)] (1, shown) and [Tl2(saloPh-But)] (2) were synthesized and characterized for use as monitors for deep subterranean fluid flows.},
doi = {10.1039/C7DT04121G},
journal = {Dalton Transactions},
issn = {1477-9226},
number = 12,
volume = 47,
place = {United States},
year = {2018},
month = {2}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Figures / Tables:

Table 1 Table 1: Data collection parameters for 1 and 2.

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Works referenced in this record:

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    Works referencing / citing this record:

    Homo- und Hetero-Metall-Amide des Tris(tert-butylamino)methylsilans – Polycyclen und Cluster mit Li, Na, Mg, Al und Tl
    journal, December 1993

    • Veith, Michael; Spaniol, Armin; Pöhlmann, Jürgen
    • Chemische Berichte, Vol. 126, Issue 12
    • DOI: 10.1002/cber.19931261210

    Group 13 Compounds Incorporating Salen Ligands
    journal, January 2001

    • Atwood, David A.; Harvey, Melanie J.
    • Chemical Reviews, Vol. 101, Issue 1
    • DOI: 10.1021/cr990008v

    Synthesis and Antimicrobial Activity of N,N-Bis(2-hydroxylbenzyl)-1,2- ethanediamine Derivatives
    journal, March 2010


    Extraction and DFT study on interaction of the univalent thallium cation with calix[4]arene-(1,2-phenylene-crown-6,crown-6)
    journal, June 2016


    Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
    journal, March 1972

    • Hehre, W. J.; Ditchfield, R.; Pople, J. A.
    • The Journal of Chemical Physics, Vol. 56, Issue 5, p. 2257-2261
    • DOI: 10.1063/1.1677527

    Toward reliable density functional methods without adjustable parameters: The PBE0 model
    journal, April 1999

    • Adamo, Carlo; Barone, Vincenzo
    • The Journal of Chemical Physics, Vol. 110, Issue 13
    • DOI: 10.1063/1.478522

    A Family of Au−Tl Loosely Bound Butterfly Clusters
    journal, August 2005

    • Fernández, Eduardo J.; López-de-Luzuriaga, José M.; Olmos, M. Elena
    • Inorganic Chemistry, Vol. 44, Issue 17
    • DOI: 10.1021/ic050060b

    Stable GaX2, InX2 and TlX2 radicals
    journal, February 2014

    • Protchenko, Andrey V.; Dange, Deepak; Harmer, Jeffrey R.
    • Nature Chemistry, Vol. 6, Issue 4
    • DOI: 10.1038/nchem.1870

    An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules
    journal, November 1998

    • Stratmann, R. Eric; Scuseria, Gustavo E.; Frisch, Michael J.
    • The Journal of Chemical Physics, Vol. 109, Issue 19
    • DOI: 10.1063/1.477483

    Experimental and theoretical study on cation–π interaction of the univalent thallium cation with [2.2.2]paracyclophane
    journal, December 2015


    Formation of a tetrahedral Tl4 cluster directed by a novel homoscorpionate ligand
    journal, January 1997

    • Rheingold, Arnold L.; Liable-Sands, Louise M.; Trofimenko, Swiatoslaw
    • Chemical Communications, Issue 17
    • DOI: 10.1039/a703349d

    Cubism
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    • Deacon, Glen B.; Feng, Tiecheng; Hockless, David C. R.
    • Inorganica Chimica Acta, Vol. 360, Issue 4
    • DOI: 10.1016/j.ica.2006.03.012

    Calix[4]arene-(2,3-naphthylene-crown-6,crown-6) as an extraordinarily efficient macrocyclic receptor for the univalent thallium cation
    journal, February 2015


    Aggregation, Reaggregation and Degradation of a Trifunctional Thallium(I) Amide Induced by Weak TlI ⃛ TlI Attraction
    journal, November 1997

    • Hellmann, Konrad W.; Gade, Lutz H.; Fleischer, Roland
    • Chemistry - A European Journal, Vol. 3, Issue 11
    • DOI: 10.1002/chem.19970031112

    Gallium and indium complexes for ring-opening polymerization of cyclic ethers, esters and carbonates
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    • Dagorne, Samuel; Normand, Mickael; Kirillov, Evgeny
    • Coordination Chemistry Reviews, Vol. 257, Issue 11-12
    • DOI: 10.1016/j.ccr.2013.02.012

    Tetrakis(hypersilyl)dithallium(TlTl): A Divalent Thallium Compound
    journal, March 1994

    • Henkel, Sonja; Klinkhammer, Karl Wilhelm; Schwarz, Wolfgang
    • Angewandte Chemie International Edition in English, Vol. 33, Issue 6
    • DOI: 10.1002/anie.199406811

    Thallophilic Interactions in Aryloxide Compounds:  the {Tl 22 -OAr) 4 } Structural Motif in (TlOAr) 4 and Tl 2 Cu(OAr) 4 Compounds
    journal, May 2006

    • Childress, Montana V.; Millar, David; Alam, Todd M.
    • Inorganic Chemistry, Vol. 45, Issue 10
    • DOI: 10.1021/ic050955o

    Vanadium(IV andV) Complexes of Schiff Bases and Reduced Schiff Bases Derived from the Reaction of Aromatico-Hydroxyaldehydes and Diamines: Synthesis, Characterisation and Solution Studies
    journal, February 2005

    • Correia, Isabel; Pessoa, Jo�o Costa; Duarte, M. Teresa
    • European Journal of Inorganic Chemistry, Vol. 2005, Issue 4
    • DOI: 10.1002/ejic.200400481

    Synthesis and Characterization of Structurally Diverse Alkaline-Earth Salen Compounds for Subterranean Fluid Flow Tracking
    journal, February 2018


    Dimethylsulfoxide gold–thallium complexes. Effects of the metal–metal interactions in the luminescence
    journal, November 2005

    • Fernández, Eduardo J.; Laguna, Antonio; López-de-Luzuriaga, José M.
    • Inorganica Chimica Acta, Vol. 358, Issue 14
    • DOI: 10.1016/j.ica.2005.03.024

    Tetrasupersilyldiindium(In–In) and Tetrasupersilyldithallium(TlTl):(tBu3Si)2MM(SitBu3)2(M= In, Tl)
    journal, January 1996

    • Wiberg, Nils; Amelunxen, Kerstin; Nöth, Heinrich
    • Angewandte Chemie International Edition in English, Vol. 35, Issue 1
    • DOI: 10.1002/anie.199600651

    Theoretical study of the interaction d10–s2 between Pt(0) and Tl(I) on the [Pt(PH3)3Tl]+ complex
    journal, September 2005

    • Mendizabal, Fernando; Zapata-Torres, Gerald; Olea-Azar, Claudio
    • Chemical Physics Letters, Vol. 412, Issue 4-6
    • DOI: 10.1016/j.cplett.2005.07.012

    A geminal dithallated bis(iminodiphenylphosphorano)methine carbon bridged dimer bound by Tl–Tl interactions
    journal, January 2010

    • Ma, Guibin; Ferguson, Michael J.; Cavell, Ronald G.
    • Chemical Communications, Vol. 46, Issue 29
    • DOI: 10.1039/c0cc01088j

    Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements
    journal, October 1982

    • Francl, Michelle M.; Pietro, William J.; Hehre, Warren J.
    • The Journal of Chemical Physics, Vol. 77, Issue 7, p. 3654-3665
    • DOI: 10.1063/1.444267

    Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
    journal, January 1985

    • Hay, P. Jeffrey; Wadt, Willard R.
    • The Journal of Chemical Physics, Vol. 82, Issue 1, p. 299-310
    • DOI: 10.1063/1.448975

    From Clusters to Ionic Complexes:  Structurally Characterized Thallium Titanium Double Alkoxides
    journal, February 2002

    • Boyle, Timothy J.; Zechmann, Cecilia A.; Alam, Todd M.
    • Inorganic Chemistry, Vol. 41, Issue 4
    • DOI: 10.1021/ic0110833

    Polymorphs, enantiomorphs, chirality and helicity in [Rh{N,O}(η4-cod)] complexes with {N,O} = salicylaldiminato Schiff base or aminocarboxylato ligands
    journal, January 2009

    • Janiak, Christoph; Chamayou, Anne-Christine; Royhan Uddin, A. K. M.
    • Dalton Transactions, Issue 19
    • DOI: 10.1039/b820072f

    Adiabatic time-dependent density functional methods for excited state properties
    journal, October 2002

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