Structural, electronic and magnetic properties of neutral and anionic Fe2(BO2) ( n = 1 – 3 ) clusters

Zhao, Hong Min; Lin, Xia; Li, Yawei; Wang, Qian; Jena, Puru

doi:10.1016/j.physleta.2014.08.014

Title: Structural, electronic and magnetic properties of neutral and anionic Fe2(BO2) ( $n = 1 – 3$ ) clusters

Authors:: Zhao, Hong Min; Lin, Xia; Li, Yawei; Wang, Qian; Jena, Puru

Publication Date:: Fri Aug 01 00:00:00 EDT 2014

Sponsoring Org.:: USDOE

OSTI Identifier:: 1496263

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physics Letters. A

Additional Journal Information:: Journal Name: Physics Letters. A Journal Volume: 378 Journal Issue: 40; Journal ID: ISSN 0375-9601

Publisher:: Elsevier

Country of Publication:: Netherlands

Language:: English

Citation Formats


                    Zhao, Hong Min, Lin, Xia, Li, Yawei, Wang, Qian, and Jena, Puru. Structural, electronic and magnetic properties of neutral and anionic Fe2(BO2) ( n = 1 – 3 ) clusters.  Netherlands: N. p., 2014. 
Web.  doi:10.1016/j.physleta.2014.08.014.

Copy to clipboard


                    Zhao, Hong Min, Lin, Xia, Li, Yawei, Wang, Qian, & Jena, Puru. Structural, electronic and magnetic properties of neutral and anionic Fe2(BO2) ( n = 1 – 3 ) clusters.  Netherlands.  https://doi.org/10.1016/j.physleta.2014.08.014

Copy to clipboard


                    Zhao, Hong Min, Lin, Xia, Li, Yawei, Wang, Qian, and Jena, Puru. Fri .  
"Structural, electronic and magnetic properties of neutral and anionic Fe2(BO2) ( n = 1 – 3 ) clusters".  Netherlands.  https://doi.org/10.1016/j.physleta.2014.08.014.

Copy to clipboard


                    
@article{osti_1496263,

  title        = {Structural, electronic and magnetic properties of neutral and anionic Fe2(BO2) ( n = 1 – 3 ) clusters},

  author       = {Zhao, Hong Min and Lin, Xia and Li, Yawei and Wang, Qian and Jena, Puru},

  abstractNote = {},

  doi          = {10.1016/j.physleta.2014.08.014},

  journal      = {Physics Letters. A},

  number       = 40,

  volume       = 378,

  place        = {Netherlands},

  year         = {Fri Aug 01 00:00:00 EDT 2014},

  month        = {Fri Aug 01 00:00:00 EDT 2014}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1016/j.physleta.2014.08.014

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 2 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Formation and properties of iron-based magnetic superhalogens: A theoretical study
journal, September 2013

Ding, Li-Ping; Kuang, Xiao-Yu; Shao, Peng
The Journal of Chemical Physics, Vol. 139, Issue 10
DOI: 10.1063/1.4819912

Density‐functional thermochemistry. III. The role of exact exchange
journal, April 1993

Becke, Axel D.
The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652
DOI: 10.1063/1.464913

Reaction-Induced Magnetic Transition in Mn ₂ Dimers
journal, February 2011

Wu, Miao Miao; Wang, Qian; Sun, Qiang
The Journal of Physical Chemistry A, Vol. 115, Issue 5
DOI: 10.1021/jp106198u

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions
journal, January 1980

Krishnan, R.; Binkley, J. S.; Seeger, R.
The Journal of Chemical Physics, Vol. 72, Issue 1
DOI: 10.1063/1.438955

Origin of the anomalous magnetic behavior of the Fe $_{13}$ $^{+}$ cluster
journal, November 2012

Wu, M.; Kandalam, A. K.; Gutsev, G. L.
Physical Review B, Vol. 86, Issue 17
DOI: 10.1103/PhysRevB.86.174410

Zn in the +III Oxidation State
journal, May 2012

Samanta, Devleena; Jena, Puru
Journal of the American Chemical Society, Vol. 134, Issue 20
DOI: 10.1021/ja3029119

Interaction of water with small Fen clusters
journal, July 2005

Gutsev, G. L.; Mochena, M. D.; Bauschlicher, C. W.
Chemical Physics, Vol. 314, Issue 1-3
DOI: 10.1016/j.chemphys.2005.03.014

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

Gas-Phase Properties and Fragmentation Behavior of Cationic, Dinuclear Iron Chloride Clusters Fe₂Cl_n⁺ (n = 1−6)
journal, May 2001

Schröder, Detlef; Loos, Jessica; Schwarz, Helmut
Inorganic Chemistry, Vol. 40, Issue 13
DOI: 10.1021/ic0100020

Theoretical Determination of Charge-Transfer and Ligand Field Transition Energies for FeCl4- Using the EOM-CCSD Method
journal, May 1994

Oliphant, Nevin; Bartlett, Rodney J.
Journal of the American Chemical Society, Vol. 116, Issue 9
DOI: 10.1021/ja00088a060

Probing the electronic structure of iron clusters using photoelectron spectroscopy
journal, December 2000

Wang, Lai-Sheng; Li, Xi; Zhang, Hai-Feng
Chemical Physics, Vol. 262, Issue 1
DOI: 10.1016/S0301-0104(00)00351-7

Structure and Properties of Fe _n , Fe _n ^– , and Fe _n ⁺ Clusters, n = 7–20
journal, October 2012

Gutsev, G. L.; Weatherford, C. A.; Jena, P.
The Journal of Physical Chemistry A, Vol. 116, Issue 41
DOI: 10.1021/jp307284v

Photoelectron spectroscopy and density functional calculations of FenBO2− clusters
journal, February 2010

Feng, Yuan; Xu, Hong-Guang; Zhang, Zeng-Guang
The Journal of Chemical Physics, Vol. 132, Issue 7
DOI: 10.1063/1.3299290

A Detailed Study of the Electronic Structure of Fe₃ Cluster and Associative Adsorption of N₂ to This Cluster: A Natural Bond Orbital Analysis
journal, August 2010

Pakiari, A. H.; Mousavi, M.
The Journal of Physical Chemistry A, Vol. 114, Issue 37
DOI: 10.1021/jp103540z

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

Structure and properties of Mn ₄ Cl ₉ : An antiferromagnetic binary hyperhalogen
journal, February 2013

Li, Yawei; Zhang, Shunhong; Wang, Qian
The Journal of Chemical Physics, Vol. 138, Issue 5
DOI: 10.1063/1.4776217

DVM-Xα calculations on the ionization potentials of MXk+1− complex anions and the electron affinities of MXk+1 “superhalogens”
journal, April 1981

Gutsev, G. L.; Boldyrev, A. I.
Chemical Physics, Vol. 56, Issue 3
DOI: 10.1016/0301-0104(81)80150-4

Vibrationally Resolved Photoelectron Spectroscopy of BO ^- and BO ₂ ^- : A Joint Experimental and Theoretical Study
journal, February 2007

Zhai, Hua-Jin; Wang, Lei-Ming; Li, Si-Dian
The Journal of Physical Chemistry A, Vol. 111, Issue 6
DOI: 10.1021/jp0666939

Electronic and Magnetic Properties of Manganese and Iron Atoms Decorated With BO₂ Superhalogens
journal, November 2012

Koirala, Pratik; Pradhan, Kalpataru; Kandalam, Anil K.
The Journal of Physical Chemistry A, Vol. 117, Issue 6
DOI: 10.1021/jp307467j

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18
journal, May 1980

McLean, A. D.; Chandler, G. S.
The Journal of Chemical Physics, Vol. 72, Issue 10, p. 5639-5648
DOI: 10.1063/1.438980

Probing the electronic structure of small iron clusters
journal, April 1995

Wang, Lai-Sheng; Cheng, Han-Song; Fan, Jiawen
Chemical Physics Letters, Vol. 236, Issue 1-2
DOI: 10.1016/0009-2614(95)00191-6

Photoelectron spectroscopy of size‐selected transition metal clusters: Fe ⁻ _n , n =3–24
journal, June 1995

Wang, Lai‐Sheng; Cheng, Han‐Song; Fan, Jiawen
The Journal of Chemical Physics, Vol. 102, Issue 24
DOI: 10.1063/1.468817

Antiferromagnetic-like coupling in the cationic iron cluster of thirteen atoms
journal, January 2013

Alvarado-Leyva, P. G.; Aguilera-Granja, F.; Balbás, L. C.
Physical Chemistry Chemical Physics, Vol. 15, Issue 34
DOI: 10.1039/c3cp51377g

Similar Records in DOE PAGES and OSTI.GOV collections:

Probing the structures and electronic properties of dual-phosphorus-doped gold cluster anions ( ${Au}_{n} P_{2}^{-}$ , n= 1–8): A density functional theory investigation

Journal Article Xu, Kang-Ming ; Huang, Teng ; Liu, Yi-Rong ; ... - Chemical Physics
Cited by 3
https://doi.org/10.1016/j.chemphys.2015.04.019
Search for neutral Higgs bosons in the multi-b-jet topology in $5.2 {fb}^{- 1}$ of $p \bar{p}$ collisions at $\sqrt{s} = 1.96 TeV$

Journal Article Abazov, V. M. ; Abbott, B. ; Acharya, B. S. ; ... - Physics Letters. B
Cited by 28
https://doi.org/10.1016/j.physletb.2011.02.062
Measurements of the $ϒ (1 S)$ , $ϒ (2 S)$ , and $ϒ (3 S)$ differential cross sections in pp collisions at $\sqrt{s} = 7 TeV$

Journal Article Khachatryan, V. ; Sirunyan, A. M. ; Tumasyan, A. ; ... - Physics Letters B

Differential cross sections as a function of transverse momentum p_T are presented for the production of Υ(nS) (n = 1, 2, 3) states decaying into a pair of muons. Thus, data corresponding to an integrated luminosity of 4.9 fb^-1 in pp collisions at √s = 7 TeV were collected with the CMS detector at the LHC. The analysis selects events with dimuon rapidity |y| < 1.2 and dimuon transverse momentum in the range 10 < p_T < 100 GeV. The measurements show a transition from an exponential to a power-law behavior at p_T ≈ 20 GeV for the three Υmore »« less
Cited by 30
https://doi.org/10.1016/j.physletb.2015.07.037
Suppression of ϒ production in $d + Au$ and $Au + Au$ collisions at $\sqrt{s_{N N}} = 200 GeV$

Journal Article Adamczyk, L. ; Adkins, J. K. ; Agakishiev, G. ; ... - Physics Letters B

We report measurements of Upsilon meson production in p + p, d +Au, and Au+Au collisions using the STAR detector at RHIC. We compare the Upsilon yield to the measured cross section in p + p collisions in order to quantify any modifications of the yield in cold nuclear matter using d +Au data and in hot nuclear matter using Au+Au data separated into three centrality classes. Our p +p measurement is based on three times the statistics of our previous result. We obtain a nuclear modification factor for Upsilon (1S + 2S + 3S) in the rapidity range |y|more »« less
Cited by 74
https://doi.org/10.1016/j.physletb.2014.06.028
Measurement of three-jet differential cross sections $d σ_{3 jet} / d M_{3 jet}$ in $p \bar{p}$ collisions at $\sqrt{s} = 1.96 TeV$

Journal Article Abazov, V. M. ; Abbott, B. ; Acharya, B. S. ; ... - Physics Letters. B
Cited by 12
https://doi.org/10.1016/j.physletb.2011.09.048

Similar Records

Title: Structural, electronic and magnetic properties of neutral and anionic Fe2(BO2) ( n = 1 – 3 ) clusters

Citation Formats

Formation and properties of iron-based magnetic superhalogens: A theoretical study journal, September 2013

Density‐functional thermochemistry. III. The role of exact exchange journal, April 1993

Reaction-Induced Magnetic Transition in Mn 2 Dimers journal, February 2011

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions journal, January 1980

Origin of the anomalous magnetic behavior of the Fe 13 + cluster journal, November 2012

Zn in the +III Oxidation State journal, May 2012

Interaction of water with small Fen clusters journal, July 2005

Natural population analysis journal, July 1985

Gas-Phase Properties and Fragmentation Behavior of Cationic, Dinuclear Iron Chloride Clusters Fe2Cln+ (n = 1−6) journal, May 2001

Theoretical Determination of Charge-Transfer and Ligand Field Transition Energies for FeCl4- Using the EOM-CCSD Method journal, May 1994

Probing the electronic structure of iron clusters using photoelectron spectroscopy journal, December 2000

Structure and Properties of Fe n , Fe n – , and Fe n + Clusters, n = 7–20 journal, October 2012

Photoelectron spectroscopy and density functional calculations of FenBO2− clusters journal, February 2010

A Detailed Study of the Electronic Structure of Fe3 Cluster and Associative Adsorption of N2 to This Cluster: A Natural Bond Orbital Analysis journal, August 2010

Natural hybrid orbitals journal, September 1980

Structure and properties of Mn 4 Cl 9 : An antiferromagnetic binary hyperhalogen journal, February 2013

DVM-Xα calculations on the ionization potentials of MXk+1− complex anions and the electron affinities of MXk+1 “superhalogens” journal, April 1981

Vibrationally Resolved Photoelectron Spectroscopy of BO - and BO 2 - : A Joint Experimental and Theoretical Study journal, February 2007

Electronic and Magnetic Properties of Manganese and Iron Atoms Decorated With BO2 Superhalogens journal, November 2012

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18 journal, May 1980

Probing the electronic structure of small iron clusters journal, April 1995

Photoelectron spectroscopy of size‐selected transition metal clusters: Fe − n , n =3–24 journal, June 1995

Antiferromagnetic-like coupling in the cationic iron cluster of thirteen atoms journal, January 2013

Title: Structural, electronic and magnetic properties of neutral and anionic Fe2(BO2) ( $n = 1 – 3$ ) clusters

Formation and properties of iron-based magnetic superhalogens: A theoretical study
journal, September 2013

Density‐functional thermochemistry. III. The role of exact exchange
journal, April 1993

Reaction-Induced Magnetic Transition in Mn ₂ Dimers
journal, February 2011

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions
journal, January 1980

Origin of the anomalous magnetic behavior of the Fe $_{13}$ $^{+}$ cluster
journal, November 2012

Zn in the +III Oxidation State
journal, May 2012

Interaction of water with small Fen clusters
journal, July 2005

Natural population analysis
journal, July 1985

Gas-Phase Properties and Fragmentation Behavior of Cationic, Dinuclear Iron Chloride Clusters Fe₂Cl_n⁺ (n = 1−6)
journal, May 2001

Theoretical Determination of Charge-Transfer and Ligand Field Transition Energies for FeCl4- Using the EOM-CCSD Method
journal, May 1994

Probing the electronic structure of iron clusters using photoelectron spectroscopy
journal, December 2000

Structure and Properties of Fe _n , Fe _n ^– , and Fe _n ⁺ Clusters, n = 7–20
journal, October 2012

Photoelectron spectroscopy and density functional calculations of FenBO2− clusters
journal, February 2010

A Detailed Study of the Electronic Structure of Fe₃ Cluster and Associative Adsorption of N₂ to This Cluster: A Natural Bond Orbital Analysis
journal, August 2010

Natural hybrid orbitals
journal, September 1980

Structure and properties of Mn ₄ Cl ₉ : An antiferromagnetic binary hyperhalogen
journal, February 2013

DVM-Xα calculations on the ionization potentials of MXk+1− complex anions and the electron affinities of MXk+1 “superhalogens”
journal, April 1981

Vibrationally Resolved Photoelectron Spectroscopy of BO ^- and BO ₂ ^- : A Joint Experimental and Theoretical Study
journal, February 2007

Electronic and Magnetic Properties of Manganese and Iron Atoms Decorated With BO₂ Superhalogens
journal, November 2012

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18
journal, May 1980

Probing the electronic structure of small iron clusters
journal, April 1995

Photoelectron spectroscopy of size‐selected transition metal clusters: Fe ⁻ _n , n =3–24
journal, June 1995

Antiferromagnetic-like coupling in the cationic iron cluster of thirteen atoms
journal, January 2013