Synthesis and characterization of a series of Group 4 phenoxy-thiol derivatives [electronic resource]
Alkoxides; Thiols; Titanium; Zirconium; Hafnium.
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| Format: | Government Document Electronic eBook |
| Language: | English |
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Washington, D.C. : Oak Ridge, Tenn. :
United States. National Nuclear Security Administration ; distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
2016.
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| Subjects: |
MARC
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| 245 | 0 | 0 | |a Synthesis and characterization of a series of Group 4 phenoxy-thiol derivatives |h [electronic resource] |
| 260 | |a Washington, D.C. : |b United States. National Nuclear Security Administration ; |a Oak Ridge, Tenn. : |b distributed by the Office of Scientific and Technical Information, U.S. Department of Energy, |c 2016. | ||
| 300 | |a p. 1-13 : |b digital, PDF file. | ||
| 336 | |a text |b txt |2 rdacontent. | ||
| 337 | |a computer |b c |2 rdamedia. | ||
| 338 | |a online resource |b cr |2 rdacarrier. | ||
| 500 | |a Published through SciTech Connect. | ||
| 500 | |a 02/11/2016. | ||
| 500 | |a "sand--2015-11103j" | ||
| 500 | |a ": S0277538716001042" | ||
| 500 | |a Polyhedron 110 C ISSN 0277-5387 AM. | ||
| 500 | |a Timothy J. Boyle; Michael L. Neville; Marie V. Parkes. | ||
| 520 | 3 | |a In this study, a series of Group 4 phenoxy-thiols were developed from the reaction products of a series of metal <i>tert</i>-butoxides ([M(OBu<sup>t</sup>)<sub>4</sub>]) with four equivalents of 4-mercaptophenol (H-4MP). The products were found by single crystal X-ray diffraction to adopt the general structure [(HOBu<sup>t</sup>)(4MP)<sub>3</sub>M(μ-4MP)]<sub>2</sub> [where M = Ti (1), Zr (2), Hf (3)] from toluene and [(py)<sub>2</sub>M(4MP)] where M = Ti (4), Zr (5) and [(py)(4MP)<sub>3</sub>Hf(μ-4MP)]<sub>2</sub> (6) from pyridine (py). Varying the [Ti(OR)<sub>4</sub>] precursors (OR = <i>iso</i>-propoxide (OPr<sup>i</sup>) or neo-pentoxide (ONep)) in toluene led to [(HOR)(4MP)<sub>3</sub>Ti(μ-4MP)]<sub>2</sub> (OR = OPr<sup>i</sup> (7), ONep (8)), which were structurally similar to 1. Lower stoichiometric reactions in toluene led to partial substitution by the 4MP ligands yielding [H][Ti(μ-4MP)(4MP)(ONep)<sub>3</sub>]<sub>2</sub> (9). Independent of the stoichiometry, all of the Ti derivatives were found to be red in color, whereas the heavier congeners were colorless. Attempts to understand this phenomenon led to investigation with a series of varied -SH substituted phenols. From the reaction of H-2MP and H-3MP (2-mercaptophenol and 3-mercaptophenol, respectively), the isolated products had identical arrangements: [(ONep)<sub>2</sub>(2MP)Ti(μ,η2-2MP)]<sub>2</sub> (10) and [(HOR)(3MP)M(μ-3MP)]<sub>2</sub> (M/OR = Ti/ONep (11); Zr/OBu<sup>t</sup> (12)) with a similar red color. Based on the simulated and observed UV-Vis spectra, it was reasoned that the color was generated due to a ligand-to-metal charge transfer for Ti that was not available for the larger congeners. | |
| 520 | 0 | |a Alkoxides; Thiols; Titanium; Zirconium; Hafnium. | |
| 536 | |b AC04-94AL85000. | ||
| 650 | 7 | |a Inorganic, Organic, Physical, And Analytical Chemistry. |2 edbsc. | |
| 710 | 2 | |a Sandia National Laboratories. |4 res. | |
| 710 | 1 | |a United States. |b National Nuclear Security Administration. |4 spn. | |
| 710 | 1 | |a United States. |b Department of Energy. |b Office of Scientific and Technical Information. |4 dst. | |
| 856 | 4 | 0 | |u http://www.osti.gov/scitech/biblio/1239982 |z Full Text (via OSTI) |
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| 952 | f | f | |p Can circulate |a University of Colorado Boulder |b Online |c Online |d Online |e E 1.99:sand--2015-11103j |h Superintendent of Documents classification |i web |n 1 |