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

This content will become publicly available on November 21, 2020

Title: Photoelectron spectroscopy of [Mo 6 X 14 ] 2− dianions (X = Cl–I)

Authors:
 [1];  [2]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [2]; ORCiD logo [4]; ORCiD logo [5]; ORCiD logo [6]; ORCiD logo [2]
  1. College of Environmental and Chemical Engineering, Xi’an Polytechnic University, Xi’an 710048, China, Physical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, MS K8-88, Richland, Washington 99352, USA
  2. Physical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, MS K8-88, Richland, Washington 99352, USA
  3. Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999, Richland, Washington 99352, USA
  4. Department of Chemistry, University of the Free State, 9300 Bloemfontein, South Africa
  5. Institute of Inorganic Chemistry of the Czech Academy of Sciences, Husinec-Řež1001, 250 68 Řež, Czech Republic
  6. Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, 04103 Leipzig, Germany
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1598388
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 151 Journal Issue: 19; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Li, Ren-Zhong, Yuan, Qinqin, Yang, Zheng, Aprà, Edoardo, Li, Zhipeng, Azov, Vladimir A., Kirakci, Kaplan, Warneke, Jonas, and Wang, Xue-Bin. Photoelectron spectroscopy of [Mo 6 X 14 ] 2− dianions (X = Cl–I). United States: N. p., 2019. Web. doi:10.1063/1.5130185.
Li, Ren-Zhong, Yuan, Qinqin, Yang, Zheng, Aprà, Edoardo, Li, Zhipeng, Azov, Vladimir A., Kirakci, Kaplan, Warneke, Jonas, & Wang, Xue-Bin. Photoelectron spectroscopy of [Mo 6 X 14 ] 2− dianions (X = Cl–I). United States. doi:10.1063/1.5130185.
Li, Ren-Zhong, Yuan, Qinqin, Yang, Zheng, Aprà, Edoardo, Li, Zhipeng, Azov, Vladimir A., Kirakci, Kaplan, Warneke, Jonas, and Wang, Xue-Bin. Thu . "Photoelectron spectroscopy of [Mo 6 X 14 ] 2− dianions (X = Cl–I)". United States. doi:10.1063/1.5130185.
@article{osti_1598388,
title = {Photoelectron spectroscopy of [Mo 6 X 14 ] 2− dianions (X = Cl–I)},
author = {Li, Ren-Zhong and Yuan, Qinqin and Yang, Zheng and Aprà, Edoardo and Li, Zhipeng and Azov, Vladimir A. and Kirakci, Kaplan and Warneke, Jonas and Wang, Xue-Bin},
abstractNote = {},
doi = {10.1063/1.5130185},
journal = {Journal of Chemical Physics},
number = 19,
volume = 151,
place = {United States},
year = {2019},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on November 21, 2020
Publisher's Version of Record

Save / Share:

Works referenced in this record:

Electronic structures of the lower triplet sublevels of hexanuclear molybdenum(II) chloride cluster
journal, April 1988

  • Azumi, Tohru; Saito, Yuria
  • The Journal of Physical Chemistry, Vol. 92, Issue 7
  • DOI: 10.1021/j100318a005

Luminescence and redox photochemistry of the molybdenum(II) cluster Mo6Cl142-
journal, March 1981

  • Maverick, Andrew W.; Gray, Harry B.
  • Journal of the American Chemical Society, Vol. 103, Issue 5
  • DOI: 10.1021/ja00395a088

Photoelectron Spectroscopy of Multiply Charged Anions
journal, May 2009


JANPA: An open source cross-platform implementation of the Natural Population Analysis on the Java platform
journal, December 2014

  • Nikolaienko, Tymofii Y.; Bulavin, Leonid A.; Hovorun, Dmytro M.
  • Computational and Theoretical Chemistry, Vol. 1050
  • DOI: 10.1016/j.comptc.2014.10.002

Liquid crystal properties resulting from synergetic effects between non-mesogenic organic molecules and a one nanometre sized octahedral transition metal cluster
journal, January 2011

  • Mocanu, Ana S.; Amela-Cortes, Maria; Molard, Yann
  • Chemical Communications, Vol. 47, Issue 7
  • DOI: 10.1039/c0cc05012a

Darstellung, Kristallstrukturen, NMR-, Schwingungsspektren und Normalkoordinatenanalyse der Clusteranionen [(Mo6I8i)Y6a]2?, Ya = F, Cl, Br, I
journal, January 1997

  • Br�ckner, P.; Preetz, W.; P�njer, M.
  • Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 623, Issue 1-6
  • DOI: 10.1002/zaac.19976230103

Oxygen quenching of electronically excited hexanuclear molybdenum and tungsten halide clusters
journal, May 1990

  • Jackson, Julie A.; Turro, Claudia.; Newsham, Mark D.
  • The Journal of Physical Chemistry, Vol. 94, Issue 11
  • DOI: 10.1021/j100374a029

Ground state electronic structures of some metal atom cluster compounds
journal, October 1978


Effect of Coordination Environment on the Electronic Structure and Properties of Mo6-Based Systems: A Density Functional Treatment
journal, October 1995

  • Robinson, L. M.; Bain, R. L.; Shriver, D. F.
  • Inorganic Chemistry, Vol. 34, Issue 22
  • DOI: 10.1021/ic00126a032

Electronic Structure and Stability of [B 12 X 12 ] 2– (X = F–At): A Combined Photoelectron Spectroscopic and Theoretical Study
journal, October 2017

  • Warneke, Jonas; Hou, Gao-Lei; Aprà, Edoardo
  • Journal of the American Chemical Society, Vol. 139, Issue 41
  • DOI: 10.1021/jacs.7b08598

Excited state dynamics of metastable phthalocyanine-tetrasulfonate tetra-anions probed by pump/probe photoelectron spectroscopy
journal, November 2007

  • Ehrler, Oli T.; Yang, Ji-Ping; Sugiharto, Albert B.
  • The Journal of Chemical Physics, Vol. 127, Issue 18
  • DOI: 10.1063/1.2780842

Darstellung, Kristallstruktur und spektroskopische Eigenschaften der Clusteranionen [(Mo6Br8i)X6a]2? mit Xa = F, Cl, Br, I
journal, February 1994

  • Preetz, W.; Bublitz, D.; Von Schnering, H. G.
  • Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 620, Issue 2
  • DOI: 10.1002/zaac.19946200207

Novel Nanomaterials Based on Inorganic Molybdenum Octahedral Clusters
journal, November 2008


Synthesis and properties of charge-transfer solids with cluster units [Mo6X14]2− (X = Br, I)
journal, January 2012

  • Saito, Gunzi; Hosoda, Hidemasa; Yoshida, Yukihiro
  • Journal of Materials Chemistry, Vol. 22, Issue 37
  • DOI: 10.1039/c2jm33086e

208. Chloromolybdenum(II) compounds
journal, January 1960


Excited states of multiply-charged anions probed by photoelectron imaging: riding the repulsive Coulomb barrier
journal, January 2014

  • Verlet, Jan R. R.; Horke, Daniel A.; Chatterley, Adam S.
  • Phys. Chem. Chem. Phys., Vol. 16, Issue 29
  • DOI: 10.1039/c4cp01667j

Synthesis and Characterization of Cs2Mo6X14 (X = Br or I) Hexamolybdenum Cluster Halides: Efficient Mo6 Cluster Precursors for Solution Chemistry Syntheses
journal, February 2005

  • Kirakci, Kaplan; Cordier, St�phane; Perrin, Christiane
  • Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 631, Issue 2-3
  • DOI: 10.1002/zaac.200400281

Efficient Singlet Oxygen Generation from Polymers Derivatized with Hexanuclear Molybdenum Clusters
journal, January 1996

  • Jackson, Julie A.; Newsham, Mark D.; Worsham, Celeste
  • Chemistry of Materials, Vol. 8, Issue 2
  • DOI: 10.1021/cm950443f

Electronic spectroscopy and photophysics of d4 clusters
journal, March 1985


A new mixing of Hartree–Fock and local density‐functional theories
journal, January 1993

  • Becke, Axel D.
  • The Journal of Chemical Physics, Vol. 98, Issue 2
  • DOI: 10.1063/1.464304

Fourth-generation plasma immersion ion implantation and deposition facility for hybrid surface modification layer fabrication
journal, January 2008

  • Wang, Langping; Huang, Lei; Xie, Zhiwen
  • Review of Scientific Instruments, Vol. 79, Issue 2
  • DOI: 10.1063/1.2870088

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
journal, September 2010

  • Valiev, M.; Bylaska, E. J.; Govind, N.
  • Computer Physics Communications, Vol. 181, Issue 9, p. 1477-1489
  • DOI: 10.1016/j.cpc.2010.04.018

A hybrid material based on [Mo6Br14]2− inorganic cluster units and [BEDO-TTF]+ organic monocationic radicals: Synthesis, structure and properties of (BEDO-TTF)2Mo6Br14(PhCN)4
journal, December 2006

  • Kirakci, Kaplan; Hosoda, Hidemasa; Cordier, Stéphane
  • Journal of Solid State Chemistry, Vol. 179, Issue 12
  • DOI: 10.1016/j.jssc.2006.07.030

Theoretical study on electronic excitation spectra of Mo and Re cluster complexes: [(Mo6Cl8)Cl6]2− and [(Re6S8)Cl6]4−
journal, June 2001

  • Honda, Hiroaki; Noro, Takeshi; Tanaka, Kiyoshi
  • The Journal of Chemical Physics, Vol. 114, Issue 24
  • DOI: 10.1063/1.1373425

Cationic octahedral molybdenum cluster complexes functionalized with mitochondria-targeting ligands: photodynamic anticancer and antibacterial activities
journal, January 2019

  • Kirakci, Kaplan; Zelenka, Jaroslav; Rumlová, Michaela
  • Biomaterials Science, Vol. 7, Issue 4
  • DOI: 10.1039/c8bm01564c

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

Temperature dependence of the luminescence lifetime of hexanuclear molybdenum(II) chloride cluster. Identification of lower excited triplet sublevels
journal, October 1985

  • Saito, Yuria; Tanaka, Hideaki K.; Sasaki, Yoichi
  • The Journal of Physical Chemistry, Vol. 89, Issue 21
  • DOI: 10.1021/j100267a001

Photodetachment of free hexahalogenometallate doubly charged anions in the gas phase: [ML6]2−, (M=Re, Os, Ir, Pt; L=Cl and Br)
journal, September 1999

  • Wang, Xue-Bin; Wang, Lai-Sheng
  • The Journal of Chemical Physics, Vol. 111, Issue 10
  • DOI: 10.1063/1.479213

Structural and bonding characterizations of molybdenum dibromide, Mo6Br12.2H2O
journal, October 1969

  • Guggenberger, Lloyd J.; Sleight, A. W.
  • Inorganic Chemistry, Vol. 8, Issue 10
  • DOI: 10.1021/ic50080a001

Combined theoretical and time-resolved photoluminescence investigations of [Mo 6 Br i 8 Br a 6 ] 2− metal cluster units: evidence of dual emission
journal, January 2015

  • Costuas, K.; Garreau, A.; Bulou, A.
  • Physical Chemistry Chemical Physics, Vol. 17, Issue 43
  • DOI: 10.1039/c5cp03960f

Natural population analysis
journal, July 1985

  • Reed, Alan E.; Weinstock, Robert B.; Weinhold, Frank
  • The Journal of Chemical Physics, Vol. 83, Issue 2
  • DOI: 10.1063/1.449486

A benchmark photoelectron spectroscopic and theoretical study of the electronic stability of [B 12 H 12 ] 2−
journal, April 2019

  • Aprà, Edoardo; Warneke, Jonas; Xantheas, Sotiris S.
  • The Journal of Chemical Physics, Vol. 150, Issue 16
  • DOI: 10.1063/1.5089510

Multifunctional hybrid silica nanoparticles based on [Mo6Br14]2− phosphorescent nanosized clusters, magnetic γ-Fe2O3 and plasmonic gold nanoparticles
journal, June 2014

  • Nerambourg, Nicolas; Aubert, Tangi; Neaime, Chrystelle
  • Journal of Colloid and Interface Science, Vol. 424
  • DOI: 10.1016/j.jcis.2014.03.008

Octahedral molybdenum clusters as radiosensitizers for X-ray induced photodynamic therapy
journal, January 2018

  • Kirakci, Kaplan; Zelenka, Jaroslav; Rumlová, Michaela
  • Journal of Materials Chemistry B, Vol. 6, Issue 26
  • DOI: 10.1039/c8tb00893k

Spectroscopic, electrochemical, and photochemical properties of molybdenum(II) and tungsten(II) halide clusters
journal, April 1983

  • Maverick, Andrew W.; Najdzionek, Jan S.; MacKenzie, Douglas
  • Journal of the American Chemical Society, Vol. 105, Issue 7
  • DOI: 10.1021/ja00345a034

Gas-Phase Multiply Charged Anions
journal, November 1995


Nanocluster cores (X=Br, I): From inorganic solid state compounds to hybrids
journal, April 2006

  • Cordier, Stéphane; Kirakci, Kaplan; Méry, Denise
  • Inorganica Chimica Acta, Vol. 359, Issue 6
  • DOI: 10.1016/j.ica.2005.07.044

A Molecular Orbital Treatment of the Bonding in Certain Metal Atom Clusters
journal, January 1964


Resonance Raman Spectra of [M 6 X 8 Y 6 ] 2 - Cluster Complexes (M = Mo, W; X, Y = Cl, Br, I)
journal, January 1996

  • Schoonover, Jon R.; Zietlow, Thomas C.; Clark, David L.
  • Inorganic Chemistry, Vol. 35, Issue 22
  • DOI: 10.1021/ic960184b

Assembly of Hexamolybdenum Metallic Clusters on Silicon Surfaces
journal, October 2007


Small Multiply Charged Anions as Building Blocks in Chemistry
journal, January 1996

  • Boldyrev, Alexander I.; Gutowski, Maciej; Simons, Jack
  • Accounts of Chemical Research, Vol. 29, Issue 10
  • DOI: 10.1021/ar960147o

Tunable Visible Emission of Luminescent Hybrid Nanoparticles Incorporating Two Complementary Luminophores: ZnO Nanocrystals and [Mo 6 Br 14 ] 2− Nanosized Cluster Units
journal, November 2012

  • Aubert, Tangi; Nerambourg, Nicolas; Saito, Noriko
  • Particle & Particle Systems Characterization, Vol. 30, Issue 1
  • DOI: 10.1002/ppsc.201200047

Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities
journal, December 1998

  • Tozer, David J.; Handy, Nicholas C.
  • The Journal of Chemical Physics, Vol. 109, Issue 23
  • DOI: 10.1063/1.477711

The [Mo6Cl14]2− Cluster is Biologically Secure and Has Anti-Rotavirus Activity In Vitro
journal, July 2017


Experimental Observation of a Very High Second Electron Affinity for ZrF 6 from Photodetachment of Gaseous ZrF 6 2- Doubly Charged Anions
journal, May 2000

  • Wang, Xue-Bin; Wang, Lai-Sheng
  • The Journal of Physical Chemistry A, Vol. 104, Issue 19
  • DOI: 10.1021/jp000362t

Probing the intrinsic features and environmental stabilization of multiply charged anions
journal, January 2006

  • Boxford, William E.; Dessent, Caroline E. H.
  • Physical Chemistry Chemical Physics, Vol. 8, Issue 44
  • DOI: 10.1039/b609123g

Synthesis, structure, and luminescence of the octahedral molybdenum cluster [Mo6I8(SC6F4H)6]2−
journal, August 2013

  • Sokolov, M. N.; Mikhailov, M. A.; Virovets, A. V.
  • Russian Chemical Bulletin, Vol. 62, Issue 8
  • DOI: 10.1007/s11172-013-0253-4

Bonding in Metal Atom Cluster Compounds from the d -Orbital Overlap Model to SCF-Xα-SW Calculations
journal, January 1980

  • Bursten, Bruce E.; Cotton, F. Albert; Stanley, George G.
  • Israel Journal of Chemistry, Vol. 19, Issue 1-4
  • DOI: 10.1002/ijch.198000013

Electronic structure and molecular properties of the [Mo6X8L6]2−; X=Cl, Br, I; L=F, Cl, Br, I clusters
journal, July 2008


The Structure of the Mo6Cl14-- Complex in the Crystal (NH4)2(Mo6Cl8)Cl6{middle dot}H2O
journal, September 1950

  • Vaughan, P. A.
  • Proceedings of the National Academy of Sciences, Vol. 36, Issue 9
  • DOI: 10.1073/pnas.36.9.461

A comparative study of the redox and excited state properties of (nBu4N)2[Mo6X14] and (nBu4N)2[Mo6X8(CF3COO)6] (X = Cl, Br, or I)
journal, January 2013

  • Kirakci, Kaplan; Kubát, Pavel; Langmaier, Jan
  • Dalton Transactions, Vol. 42, Issue 19
  • DOI: 10.1039/c3dt32863e

Clustomesogens: Liquid Crystal Materials Containing Transition-Metal Clusters
journal, March 2010

  • Molard, Yann; Dorson, Frederick; Cîrcu, Viorel
  • Angewandte Chemie International Edition, Vol. 49, Issue 19
  • DOI: 10.1002/anie.201000325

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
journal, January 1988


Determination of the electron affinity of iodine
journal, April 1992

  • Hanstorp, D.; Gustafsson, M.
  • Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 25, Issue 8
  • DOI: 10.1088/0953-4075/25/8/012

Solar Chemistry of Metal Complexes
journal, December 1981


Synthesis, structure and properties of the cluster anions [(Mo6Cl8i)X6a]2− with XaF, Cl, Br, I
journal, May 1992