skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Uncovering Multiple Metal-Metal Bonding in a Tetranuclear Fluoride Rhenium Cluster or the Curious Case of {[Ni(H 2 O) 6 ](NH 4 ) 4 }[Re 4 F 18 ]·4H 2 O: Uncovering Multiple Metal-Metal Bonding in a Tetranuclear Fluoride Rhenium Cluster or the Curious Case of {[Ni(H 2 O) 6 ](NH 4 ) 4 }[Re 4 F 18 ]·4H 2 O

Authors:
 [1];  [1];  [2];  [3];  [2];  [4]; ORCiD logo [1]
  1. Department of Chemistry and Biochemistry, University of Nevada Las Vegas, 4505, South Maryland Parkway 89154 Las Vegas Nevada USA
  2. Institute of Chemistry and Biochemistry, Freie University Berlin, Fabeck Str 34/36 14195 Berlin Germany
  3. Catalysis Research Center, Technical University of Munich, Ernst-Otto-Fischer Str 1 85747 Garching Germany
  4. Chemical Sciences and Engineering Division, Argonne National Laboratory, 60439 Lemont Illinois USA
Publication Date:
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1569775
Grant/Contract Number:  
NA0003180 and/or DE-NA0000979
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
European Journal of Inorganic Chemistry
Additional Journal Information:
Journal Name: European Journal of Inorganic Chemistry Journal Volume: 2019 Journal Issue: 38; Journal ID: ISSN 1434-1948
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Germany
Language:
English

Citation Formats

Mariappan Balasekaran, Samundeeswari, Lawler, Keith, Hagenbach, Adelheid, Abram, Andrea, Abram, Ulrich, Sattelberger, Alfred, and Poineau, Frederic. Uncovering Multiple Metal-Metal Bonding in a Tetranuclear Fluoride Rhenium Cluster or the Curious Case of {[Ni(H 2 O) 6 ](NH 4 ) 4 }[Re 4 F 18 ]·4H 2 O: Uncovering Multiple Metal-Metal Bonding in a Tetranuclear Fluoride Rhenium Cluster or the Curious Case of {[Ni(H 2 O) 6 ](NH 4 ) 4 }[Re 4 F 18 ]·4H 2 O. Germany: N. p., 2019. Web. doi:10.1002/ejic.201900830.
Mariappan Balasekaran, Samundeeswari, Lawler, Keith, Hagenbach, Adelheid, Abram, Andrea, Abram, Ulrich, Sattelberger, Alfred, & Poineau, Frederic. Uncovering Multiple Metal-Metal Bonding in a Tetranuclear Fluoride Rhenium Cluster or the Curious Case of {[Ni(H 2 O) 6 ](NH 4 ) 4 }[Re 4 F 18 ]·4H 2 O: Uncovering Multiple Metal-Metal Bonding in a Tetranuclear Fluoride Rhenium Cluster or the Curious Case of {[Ni(H 2 O) 6 ](NH 4 ) 4 }[Re 4 F 18 ]·4H 2 O. Germany. doi:10.1002/ejic.201900830.
Mariappan Balasekaran, Samundeeswari, Lawler, Keith, Hagenbach, Adelheid, Abram, Andrea, Abram, Ulrich, Sattelberger, Alfred, and Poineau, Frederic. Tue . "Uncovering Multiple Metal-Metal Bonding in a Tetranuclear Fluoride Rhenium Cluster or the Curious Case of {[Ni(H 2 O) 6 ](NH 4 ) 4 }[Re 4 F 18 ]·4H 2 O: Uncovering Multiple Metal-Metal Bonding in a Tetranuclear Fluoride Rhenium Cluster or the Curious Case of {[Ni(H 2 O) 6 ](NH 4 ) 4 }[Re 4 F 18 ]·4H 2 O". Germany. doi:10.1002/ejic.201900830.
@article{osti_1569775,
title = {Uncovering Multiple Metal-Metal Bonding in a Tetranuclear Fluoride Rhenium Cluster or the Curious Case of {[Ni(H 2 O) 6 ](NH 4 ) 4 }[Re 4 F 18 ]·4H 2 O: Uncovering Multiple Metal-Metal Bonding in a Tetranuclear Fluoride Rhenium Cluster or the Curious Case of {[Ni(H 2 O) 6 ](NH 4 ) 4 }[Re 4 F 18 ]·4H 2 O},
author = {Mariappan Balasekaran, Samundeeswari and Lawler, Keith and Hagenbach, Adelheid and Abram, Andrea and Abram, Ulrich and Sattelberger, Alfred and Poineau, Frederic},
abstractNote = {},
doi = {10.1002/ejic.201900830},
journal = {European Journal of Inorganic Chemistry},
number = 38,
volume = 2019,
place = {Germany},
year = {2019},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1002/ejic.201900830

Save / Share:

Works referenced in this record:

Fluorokomplexe des vierwertigen Rheniums
journal, January 1956

  • Weise, Eberhard
  • Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 283, Issue 1-6
  • DOI: 10.1002/zaac.19562830139

Al, Ga and In heterometallic wheels and their by-products
journal, January 2007

  • Sañudo, E. Carolina; Muryn, Christopher A.; Helliwell, Madeleine A.
  • Chem. Commun., Issue 8
  • DOI: 10.1039/B613877B

The Mayer bond order as a tool in inorganic chemistry†
journal, January 2001

  • Bridgeman, Adam J.; Cavigliasso, Germán; Ireland, Luke R.
  • Journal of the Chemical Society, Dalton Transactions, Issue 14
  • DOI: 10.1039/b102094n

The Raman spectrum of ammonium metavanadate
journal, October 1989


Octahedral aqua fluoride rhenium cluster complexes K[Re6S8F3(H2O)3]·7H2O, H3O[Re6Se8F3(H2O)3]·7H2O and [Re6Q8F2(H2O)4]·12H2O (Q=S, Se): Synthesis and structure
journal, June 2007

  • Mironov, Yuri V.; Yarovoi, Spartak S.; Naumov, Dmitrii Y.
  • Inorganica Chimica Acta, Vol. 360, Issue 9
  • DOI: 10.1016/j.ica.2007.02.012

New isomeric tetranuclear cluster anions Mo4Cl123-. Fragments of the (Mo6Cl8)Cl62- octahedral cluster anion
journal, April 1986

  • Aufdembrink, Brent A.; McCarley, Robert E.
  • Journal of the American Chemical Society, Vol. 108, Issue 9
  • DOI: 10.1021/ja00269a072

Hydrogen atoms location in [Re4(µ3-H)4(CO)12] by joint X-ray single-crystal and neutron powder diffraction analysis
journal, January 1997

  • Masciocchi, Norberto; Sironi, Angelo; Masciocchi, Norberto
  • Chemical Communications, Issue 19
  • DOI: 10.1039/a705240e

Density functional theory for transition metals and transition metal chemistry
journal, January 2009

  • Cramer, Christopher J.; Truhlar, Donald G.
  • Physical Chemistry Chemical Physics, Vol. 11, Issue 46
  • DOI: 10.1039/b907148b

Molecular and Electronic Structures of M 2 O 7 (M = Mn, Tc, Re)
journal, February 2017


LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst
journal, January 2009

  • Thom, Alex J. W.; Sundstrom, Eric J.; Head-Gordon, Martin
  • Physical Chemistry Chemical Physics, Vol. 11, Issue 47
  • DOI: 10.1039/b915364k

The prediction of Raman spectra by density functional theory. Preliminary findings
journal, December 1995


Non-bonding molecular orbitals and the chemistry of non-classical organic molecules
journal, January 1994


Chemical bonding in hypervalent molecules. The dominance of ionic bonding and negative hyperconjugation over d-orbital participation
journal, February 1990

  • Reed, Alan E.; Schleyer, Paul v. R.
  • Journal of the American Chemical Society, Vol. 112, Issue 4
  • DOI: 10.1021/ja00160a022

Infrared absorption spectra of aquo complexes and the nature of co-ordination bonds
journal, March 1964


Metal ion directed self-assembly of sensors for ions, molecules and biomolecules
journal, January 2011


Expanding the Chemistry of Rhenium Metal–Metal Bonded Fluoro Complexes: Facile Preparation and Characterization of Paddlewheel Complexes
journal, December 2017

  • Balasekaran, Samundeeswari Mariappan; Sattelberger, Alfred P.; Hagenbach, Adelheid
  • Inorganic Chemistry, Vol. 57, Issue 1
  • DOI: 10.1021/acs.inorgchem.7b02519

Syntheses, Raman spectroscopy and crystal structures of alkali hexafluoridorhenates(IV) revisited
journal, April 2018

  • Louis-Jean, James; Mariappan Balasekaran, Samundeeswari; Smith, Dean
  • Acta Crystallographica Section E Crystallographic Communications, Vol. 74, Issue 5
  • DOI: 10.1107/S2056989018005297

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
journal, September 2014


Ditechnetium Heptoxide Revisited: Solid-State, Gas-Phase, and Theoretical Studies
journal, September 2016


Syntheses and Characterizations of the New Tetranuclear Rhenium Cluster Compounds Re 43 -Q) 4 (TeCl 2 ) 4 Cl 8 (Q = S, Se, Te)
journal, February 1997

  • Mironov, Yuri V.; Albrecht-Schmitt, Thomas E.; Ibers, James A.
  • Inorganic Chemistry, Vol. 36, Issue 5
  • DOI: 10.1021/ic961011p

Crystal and molecular structure of trirhenium nonaiodide
journal, August 1968

  • Bennett, M. J.; Cotton, F. A.; Foxman, Bruce M.
  • Inorganic Chemistry, Vol. 7, Issue 8
  • DOI: 10.1021/ic50066a017

The Crystal Structure of Cesium Dodecachlorotrirhenate-(III), a Compound with a New Type of Metal Atom Cluster
journal, December 1963

  • Bertrand, J. A.; Cotton, F. A.; Dollase, W. A.
  • Inorganic Chemistry, Vol. 2, Issue 6
  • DOI: 10.1021/ic50010a019

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
journal, January 2005

  • Weigend, Florian; Ahlrichs, Reinhart
  • Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305
  • DOI: 10.1039/b508541a

A short history of SHELX
journal, December 2007

  • Sheldrick, George M.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122
  • DOI: 10.1107/S0108767307043930

High-yield synthesis of the cuboidal rhenium cluster [Re4S4(CN)12]4− by reaction of the triangular cluster [Re3S7Br6]+ with cyanide
journal, February 1996


Rhenium Fluorides
journal, October 1980


Octahedral clusters of rhenium tellurobromide: Syntheses and crystal structures of [NPr4]2[Re6Te6Br8] and [PPh4][Re6Te5Br9]
journal, July 1998

  • Mironov, Y. V.; Fedorov, V. E.; Pell, M. A.
  • Journal of Structural Chemistry, Vol. 39, Issue 4
  • DOI: 10.1007/BF02903639

The Metal-Metal Bonded, Polynuclear Complex Anion in CsReCl 4
journal, May 1963

  • Bertrand, J. A.; Cotton, F. A.; Dollase, W. A.
  • Journal of the American Chemical Society, Vol. 85, Issue 9
  • DOI: 10.1021/ja00892a029

First Examples of Chalcofluoride Rhenium Cluster Complexes with Cubane-Like Anions [Re4Q4F12]4- (Q = S, Se)
journal, June 2005

  • Mironov, Yuri V.; Yarovoi, Spartak S.; Naumov, Dmitry Y.
  • European Journal of Inorganic Chemistry, Vol. 2005, Issue 12
  • DOI: 10.1002/ejic.200500130

Measurement of the Raman spectrum of liquid water
journal, February 1998

  • Carey, David M.; Korenowski, Gerald M.
  • The Journal of Chemical Physics, Vol. 108, Issue 7
  • DOI: 10.1063/1.475659

Natural hybrid orbitals
journal, September 1980

  • Foster, J. P.; Weinhold, F.
  • Journal of the American Chemical Society, Vol. 102, Issue 24
  • DOI: 10.1021/ja00544a007

Compounds Containing Dirheniurm(III) Octahalide Anions
journal, March 1965

  • Cotton, F. A.; Curtis, N. F.; Johnson, B. F. G.
  • Inorganic Chemistry, Vol. 4, Issue 3
  • DOI: 10.1021/ic50025a014

Self-assembled tetranuclear metallacyclic chair using orthogonal tritopic acceptors, angular ditopic donors, and bischelating bridging motifs
journal, February 2011

  • Shankar, Bhaskaran; Rajakannu, Palanisamy; Kumar, Surendra
  • Inorganic Chemistry Communications, Vol. 14, Issue 2
  • DOI: 10.1016/j.inoche.2010.12.003

Raman scattering from NH 4 + and ND 4 + in beta‐alumina
journal, August 1980

  • Bates, J. B.; Kaneda, T.; Wang, J. C.
  • The Journal of Chemical Physics, Vol. 73, Issue 4
  • DOI: 10.1063/1.440356

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

Octafluorodirhenate(III) Revisited: Solid-State Preparation, Characterization, and Multiconfigurational Quantum Chemical Calculations
journal, May 2016

  • Mariappan Balasekaran, Samundeeswari; Todorova, Tanya K.; Pham, Chien Thang
  • Inorganic Chemistry, Vol. 55, Issue 11
  • DOI: 10.1021/acs.inorgchem.6b00424

Structural and dielectric properties of thiazolium chlorobismuthate(III) and chloroantimonate(III)
journal, September 2008


A fast intrinsic localization procedure applicable for a b i n i t i o and semiempirical linear combination of atomic orbital wave functions
journal, May 1989

  • Pipek, János; Mezey, Paul G.
  • The Journal of Chemical Physics, Vol. 90, Issue 9
  • DOI: 10.1063/1.456588

Energy-adjustedab initio pseudopotentials for the second and third row transition elements
journal, January 1990

  • Andrae, D.; H�u�ermann, U.; Dolg, M.
  • Theoretica Chimica Acta, Vol. 77, Issue 2
  • DOI: 10.1007/BF01114537

A new rectangular Re4 cluster compound of the metallocyclodiyne Type
journal, September 1995

  • Cotton, F. Albert; Dikarev, Evgeny V.
  • Journal of Cluster Science, Vol. 6, Issue 3
  • DOI: 10.1007/BF01165470

Raman spectroscopy of the ammonium ion in NH 4 MnF 3 and NH 4 ZnF 3 perovskites: temperature dependence
journal, March 1988

  • Agullo-Rueda, F.; Calleja, J. M.; Bartolome, J.
  • Journal of Physics C: Solid State Physics, Vol. 21, Issue 7
  • DOI: 10.1088/0022-3719/21/7/016

[ReF 6 ] 2− : A Robust Module for the Design of Molecule-Based Magnetic Materials
journal, January 2014

  • Pedersen, Kasper S.; Sigrist, Marc; Sørensen, Mikkel A.
  • Angewandte Chemie International Edition, Vol. 53, Issue 5
  • DOI: 10.1002/anie.201309981

Crystal structure of the tellurocyanide cluster complex K4[Re4Te4(CN)12]·5H2O
journal, March 1999

  • Mironov, Yu. V.; Virovets, A. V.; Artemkina, S. B.
  • Journal of Structural Chemistry, Vol. 40, Issue 2
  • DOI: 10.1007/BF02903662

Crystal structure of bis(dimethylammonium) hexaaquanickel(II) bis(sulfate) dihydrate
journal, October 2014


Hydrothermal chemistry of oligomeric vanadium oxyfluorides
journal, January 2007

  • Aldous, David W.; Stephens, Nicholas F.; Lightfoot, Philip
  • Dalton Transactions, Issue 22
  • DOI: 10.1039/b702146a