Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: Electronic structures and binding motifs of sodium polysulfide clusters NaSn− ( n = 5–9): A joint negative ion photoelectron spectroscopy and computational investigation

Journal Article · · Journal of Chemical Physics
DOI: https://doi.org/10.1063/1.5100733 · OSTI ID:1530006
ORCiD logo [1];  [2];  [2];  [3]; ORCiD logo [4]; ORCiD logo [3];  [4]
  1. State Key Laboratory of Precision Spectroscopy, East China Normal University, Shanghai 200062, China, Physical Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999, Richland, Washington 99352, USA
  2. State Key Laboratory of Precision Spectroscopy, East China Normal University, Shanghai 200062, China
  3. Physical Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999, Richland, Washington 99352, USA
  4. State Key Laboratory of Precision Spectroscopy, East China Normal University, Shanghai 200062, China, Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan, Shanxi 030006, China
+ Show Author Affiliations

Not Available

Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI ID:
1530006
Alternate ID(s):
OSTI ID: 1545053
Journal Information:
Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 24 Vol. 150; ISSN 0021-9606
Publisher:
American Institute of PhysicsCopyright Statement
Country of Publication:
United States
Language:
English

References (44)

Applications of Synthetic Organic Tetrasulfides as H 2 S Donors journal April 2017
Sulfur Cluster Dianions journal June 1998
Electrospray Ionization Mass Spectrometric Analysis of Aqueous Polysulfide Solutions journal June 2004
Liquid electrolyte lithium/sulfur battery: Fundamental chemistry, problems, and solutions journal June 2013
Gas-Phase Multiply Charged Anions journal November 1995
Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon journal January 1993
Shuttle phenomenon – The irreversible oxidation mechanism of sulfur active material in Li–S battery journal August 2013
Investigation of Free Singly and Doubly Charged Alkali Metal Sulfate Ion Pairs:  M + (SO 4 2- ) and [M + (SO 4 2- )] 2 (M = Na, K) journal May 1999
The second-order approximate coupled cluster singles and doubles model CC2 journal September 1995
Rechargeable Lithium–Sulfur Batteries journal July 2014
A stable room-temperature sodium–sulfur battery journal June 2016
Polysulfide Chemistry in Sodium-Sulfur Batteries and Related Systems- A Computational Study by G3X(MP2) and PCM Calculations journal January 2013
Discovery and Characterization of a Disulfide-Locked C 2 -Symmetric Defensin Peptide journal September 2014
Density functional and Monte Carlo studies of sulfur. I. Structure and bonding in Sn rings and chains (n=2–18) journal May 2003
The method of moments of coupled-cluster equations and the renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) approaches journal July 2000
Negative ion photoelectron spectra of ISO3–, IS2O3–, and IS2O4– intermediates formed in interfacial reactions of ozone and iodide/sulfite aqueous microdroplets journal December 2016
Rings and chains in sulfur cluster anions S − to S 9 − : Theory (simulated annealing) and experiment (photoelectron detachment) journal April 1995
Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li-F journal October 1983
Oxidative Folding of Proteins journal November 2000
Property-optimized Gaussian basis sets for molecular response calculations journal October 2010
Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters journal November 2012
Anions made of cations and dianions: [CsC9]− and [CsC7]− journal July 1999
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields journal November 1994
PEGylation of native disulfide bonds in proteins journal December 2006
Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities journal December 1998
Reactivity and Stability of Glucosinolates and Their Breakdown Products in Foods journal August 2014
Development of the First Generation of Disulfide-Based Subtype-Selective and Potent Covalent Pyruvate Dehydrogenase Kinase 1 (PDK1) Inhibitors journal February 2017
Hydrogen sulfide mediates the vasoactivity of garlic journal October 2007
A density functional study for the isomers of anionic sulfur clusters S− (n=3–20) journal December 2001
Multiply Charged Anions in the Gas Phase journal January 2002
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals journal July 2007
Cluster Model Studies of Anion and Molecular Specificities via Electrospray Ionization Photoelectron Spectroscopy journal January 2017
Choosing an effective protein bioconjugation strategy journal November 2011
Synthesis and Biological Evaluation of Epidithio-, Epitetrathio-, and bis-(Methylthio)diketopiperazines: Synthetic Methodology, Enantioselective Total Synthesis of Epicoccin G, 8,8′- epi - ent -Rostratin B, Gliotoxin, Gliotoxin G, Emethallicin E, and Haematocin and Discovery of New Antiviral and Antimalarial Agents journal October 2012
Allium Chemistry:  Synthesis and Sigmatropic Rearrangements of Alk(en)yl 1-Propenyl Disulfide S -Oxides from Cut Onion and Garlic 1 journal January 1996
An Evaluation of Harmonic Vibrational Frequency Scale Factors journal November 2007
Multifaceted Roles of Disulfide Bonds. Peptides as Therapeutics journal October 2013
Direct observation of disulfide isomerization in a single protein journal October 2011
Prediction and observation of ring and chain isomers in Sn− i ons journal April 1995
Development of Sodium-Sulfur Batteries journal July 2004
Development of a low-temperature photoelectron spectroscopy instrument using an electrospray ion source and a cryogenically controlled ion trap journal July 2008
Probing Free Multiply Charged Anions Using Photodetachment Photoelectron Spectroscopy journal March 2000
Electronic structure calculations on workstation computers: The program system turbomole journal October 1989
Disulfide- and Multisulfide-Containing Metabolites from Marine Organisms journal December 2011

Similar Records

Electronic structures and binding motifs of sodium polysulfide clusters NaSn- (n = 5-9): a joint negative ion photoelectron spectroscopy and computational investigation
Journal Article · 2019 · Journal of Chemical Physics · OSTI ID:1545053
+4 more
Probing the Electronic and Structural Properties of Chromium Oxide Clusters (CrO3)n- and (CrO3)n (n=1-5): Photoelectron Spectroscopy and Density Functional Calculations
Journal Article · 2008 · Journal of the American Chemical Society, 130(15):5167-5177 · OSTI ID:934641
+1 more
Electronic Structure and Chemical Bonding in MOn- and MOn Clusters (M=Mo, W; n=3-5): A Photoelectron Spectroscopy and ab Initio Study
Journal Article · 2004 · Journal of the American Chemical Society, 126(49):16134-16141 · OSTI ID:15011237
+3 more

Related Subjects