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Title: Ca(BH 4) 2 as a simple tool for the preparation of thorium and uranium metallocene borohydride complexes: First synthesis and crystal structure of (C 5Me 5) 2Th(η 3-H 3BH) 2

Abstract

Here, calcium borohydride allows for the high-yielding synthesis of (C 5Me 5)2An(η 3-H 3BH) 2 (An = Th, U) by reaction with (C 5Me 5) 2AnCl 2 (An = Th, U). While a preparative synthesis of (C 5Me 5) 2U(η 3-H 3BH) 2 has been previously reported in the literature using K(C 5Me 5) and U(BH 4) 4, the use of Ca(BH 4) 2 is higher yielding and mild. Full characterization of the novel compound (C 5Me 5) 2Th(η 3-H 3BH) 2 is presented.

Authors:
 [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Laboratory Directed Research and Development (LDRD) Program
OSTI Identifier:
1351990
Alternate Identifier(s):
OSTI ID: 1396374
Report Number(s):
LA-UR-17-20498
Journal ID: ISSN 1387-7003
Grant/Contract Number:  
AC52-06NA25396
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Inorganic Chemistry Communications
Additional Journal Information:
Journal Volume: 77; Journal Issue: C; Journal ID: ISSN 1387-7003
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; borohydride; thorium; uranium; pentamethylcylopentadienyl; X-ray crystallography

Citation Formats

Erickson, Karla A., Scott, Brian Lindley, and Kiplinger, Jaqueline Loetsch. Ca(BH4)2 as a simple tool for the preparation of thorium and uranium metallocene borohydride complexes: First synthesis and crystal structure of (C5Me5)2Th(η3-H3BH)2. United States: N. p., 2017. Web. doi:10.1016/j.inoche.2017.01.019.
Erickson, Karla A., Scott, Brian Lindley, & Kiplinger, Jaqueline Loetsch. Ca(BH4)2 as a simple tool for the preparation of thorium and uranium metallocene borohydride complexes: First synthesis and crystal structure of (C5Me5)2Th(η3-H3BH)2. United States. doi:10.1016/j.inoche.2017.01.019.
Erickson, Karla A., Scott, Brian Lindley, and Kiplinger, Jaqueline Loetsch. Wed . "Ca(BH4)2 as a simple tool for the preparation of thorium and uranium metallocene borohydride complexes: First synthesis and crystal structure of (C5Me5)2Th(η3-H3BH)2". United States. doi:10.1016/j.inoche.2017.01.019. https://www.osti.gov/servlets/purl/1351990.
@article{osti_1351990,
title = {Ca(BH4)2 as a simple tool for the preparation of thorium and uranium metallocene borohydride complexes: First synthesis and crystal structure of (C5Me5)2Th(η3-H3BH)2},
author = {Erickson, Karla A. and Scott, Brian Lindley and Kiplinger, Jaqueline Loetsch},
abstractNote = {Here, calcium borohydride allows for the high-yielding synthesis of (C5Me5)2An(η3-H3BH)2 (An = Th, U) by reaction with (C5Me5)2AnCl2 (An = Th, U). While a preparative synthesis of (C5Me5)2U(η3-H3BH)2 has been previously reported in the literature using K(C5Me5) and U(BH4)4, the use of Ca(BH4)2 is higher yielding and mild. Full characterization of the novel compound (C5Me5)2Th(η3-H3BH)2 is presented.},
doi = {10.1016/j.inoche.2017.01.019},
journal = {Inorganic Chemistry Communications},
issn = {1387-7003},
number = C,
volume = 77,
place = {United States},
year = {2017},
month = {1}
}

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Figures / Tables:

Figure 1 Figure 1: Molecular structure of (C5Me5)2Th( $\eta^3$-H3BH)2 (1) with thermal ellipsoids projected at the 50% probability level. The methyl groups on the pentamethylcyclopentadienyl ligands have been omitted for clarity. The hydrogen atoms attached to boron were located on the Fourier difference map and refined with restraints. Selected bond distances (Å)more » and angles (°): Th(1)–B(1) = Th(1)– B(2) = 2.627(5); B(1)–Th–B(2) = 98.6(2); Ccent–Th(1)–Ccent = 132.9(3); Th(1)–Cring(ave) = 2.807(3).« less

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Works referencing / citing this record:

CCDC 1521897: Experimental Crystal Structure Determination: XATQUH : bis(pentamethylcyclopentadienyl)-bis(tetrahydroborate)-thulium
dataset, December 2016

  • Erickson, Karla A.; Scott, Brian L.; Kiplinger, Jaqueline L.
  • Cambridge Structural Database (CSD)
  • DOI: 10.5517/ccdc.csd.cc1n2ngv

    Figures / Tables found in this record:

      Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.