Isolation and Structural Characterization of a Mackay 55-Metal-Atom Two-Shell Icosahedron of Pseudo- I h Symmetry, Pd 55 L 12 (μ 3 -CO) 20 (L = PR 3 , R = Isopropyl): Comparative Analysis with Interior Two-Shell Icosahedral Geometries in Capped Three-Shell Pd 145 , Pt-Centered Four-Shell Pd–Pt M 165 , and Four-Shell Au 133 Nanoclusters

Erickson, Jeremiah D.; Mednikov, Evgueni G.; Ivanov, Sergei A.; Dahl, Lawrence F.

doi:10.1021/jacs.5b13076

Title: Isolation and Structural Characterization of a Mackay 55-Metal-Atom Two-Shell Icosahedron of Pseudo- I _h Symmetry, Pd ₅₅ L ₁₂ (μ ₃ -CO) ₂₀ (L = PR ₃ , R = Isopropyl): Comparative Analysis with Interior Two-Shell Icosahedral Geometries in Capped Three-Shell Pd ₁₄₅ , Pt-Centered Four-Shell Pd–Pt M ₁₆₅ , and Four-Shell Au ₁₃₃ Nanoclusters

Journal Article · Sun Jan 31 00:00:00 EST 2016 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.5b13076· OSTI ID:1236507

Erickson, Jeremiah D. ^[1]; Mednikov, Evgueni G. ^[1]; Ivanov, Sergei A. ^[2]; Dahl, Lawrence F. ^[1]

Department of Chemistry, University of Wisconsin—Madison, Madison, Wisconsin 53706, United States
Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

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Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1236507

Journal Information:: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Vol. 138 Journal Issue: 5; ISSN 0002-7863

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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References (37)

Metallic Phase with Long-Range Orientational Order and No Translational Symmetry Shechtman, D.; Blech, I.; Gratias, D. Physical Review Letters, Vol. 53, Issue 20, p. 1951-1953 https://doi.org/10.1103/PhysRevLett.53.1951	journal	November 1984
Density‐functional thermochemistry. III. The role of exact exchange Becke, Axel D. The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652 https://doi.org/10.1063/1.464913	journal	April 1993
Generalized gradient approximation for the exchange-correlation hole of a many-electron system Perdew, John P.; Burke, Kieron; Wang, Yue Physical Review B, Vol. 54, Issue 23 https://doi.org/10.1103/PhysRevB.54.16533	journal	December 1996
Large clusters and colloids. Metals in the embryonic state Schmid, Guenter Chemical Reviews, Vol. 92, Issue 8 https://doi.org/10.1021/cr00016a002	journal	December 1992
Solid C60: a new form of carbon Krätschmer, W.; Lamb, Lowell D.; Fostiropoulos, K. Nature, Vol. 347, Issue 6291 https://doi.org/10.1038/347354a0	journal	September 1990
Natural population analysis Reed, Alan E.; Weinstock, Robert B.; Weinhold, Frank The Journal of Chemical Physics, Vol. 83, Issue 2 https://doi.org/10.1063/1.449486	journal	July 1985
Syntheses, structures and properties of primarily nanosized homo/heterometallic palladium CO/PR ₃ -ligated clusters Mednikov, Evgueni G.; Dahl, Lawrence F. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 368, Issue 1915 https://doi.org/10.1098/rsta.2009.0272	journal	March 2010
Nanosized (μ ₁₂ -Pt)Pd _164- _x Pt _x (CO) ₇₂ (PPh ₃ ) ₂₀ ( x ≈ 7) Containing Pt-Centered Four-Shell 165-Atom Pd−Pt Core with Unprecedented Intershell Bridging Carbonyl Ligands: Comparative Analysis of Icosahedral Shell-Growth Patterns with Geometrically Related Pd ₁₄₅ (CO) _x (PEt ₃ ) ₃₀ ( x ≈ 60) Containing Capped Three-Shell Pd ₁₄₅ Core Mednikov, Evgueni G.; Jewell, Matthew C.; Dahl, Lawrence F. Journal of the American Chemical Society, Vol. 129, Issue 37 https://doi.org/10.1021/ja073945q	journal	September 2007
The influence of polarization functions on molecular orbital hydrogenation energies Hariharan, P. C.; Pople, J. A. Theoretica Chimica Acta, Vol. 28, Issue 3 https://doi.org/10.1007/BF00533485	journal	January 1973
Palladium: It Forms Unique Nano-Sized Carbonyl Clusters Mednikov, Evgueni G.; Dahl, Lawrence F. Journal of Chemical Education, Vol. 86, Issue 10 https://doi.org/10.1021/ed086p1135	journal	October 2009
Structural Models for Clusters Produced in a Free Jet Expansion Farges, J.; De Feraudy, M. F.; Raoult, B. Advances in Chemical Physics: Evolution of Size Effects in Chemical Dynamics, Part 2, Volume 70 https://doi.org/10.1002/9780470122693.ch2	book	January 2007
Ab initio calculations of Ru, Pd, and Ag cluster structure with 55, 135, and 140 atoms Jennison, D. R.; Schultz, P. A.; Sears, M. P. The Journal of Chemical Physics, Vol. 106, Issue 5 https://doi.org/10.1063/1.473339	journal	February 1997
C60: Buckminsterfullerene Kroto, H. W.; Heath, J. R.; O'Brien, S. C. Nature, Vol. 318, Issue 6042 https://doi.org/10.1038/318162a0	journal	November 1985
Structural patterns at all scales in a nonmetallic chiral Au ₁₃₃ (SR) ₅₂ nanoparticle Zeng, Chenjie; Chen, Yuxiang; Kirschbaum, Kristin Science Advances, Vol. 1, Issue 2 https://doi.org/10.1126/sciadv.1500045	journal	March 2015
Structure and Dynamics of Simple Microclusters Hoare, M. R.; Prigogine, I.; Rice, Stuart A. Advances in Chemical Physics: Prigogine/Advances, Vol. 40 https://doi.org/10.1002/9780470142592.ch2	book	January 1979
A dense non-crystallographic packing of equal spheres Mackay, A. L. Acta Crystallographica, Vol. 15, Issue 9 https://doi.org/10.1107/S0365110X6200239X	journal	September 1962
Noncrystalline structure of argon clusters. II. Multilayer icosahedral structure of Ar _N clusters 50< N <750 Farges, J.; de Feraudy, M. F.; Raoult, B. The Journal of Chemical Physics, Vol. 84, Issue 6 https://doi.org/10.1063/1.450235	journal	March 1986
Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg Hay, P. Jeffrey; Wadt, Willard R. The Journal of Chemical Physics, Vol. 82, Issue 1 https://doi.org/10.1063/1.448799	journal	January 1985
[Pd30(CO)26(PEt3)10] and [Pd54(CO)40(PEt3)14]: Generation of Nanosized Pd30- and Pd54-Core Geometries Containing Interpenetrating Cuboctahedral-Based Metal Polyhedra Mednikov, Eugeny G.; Ivanov, Sergei A.; Dahl, Lawrence F. Angewandte Chemie International Edition, Vol. 42, Issue 3 https://doi.org/10.1002/anie.200390107	journal	January 2003
Au ₁₃₃ (SPh- t Bu) ₅₂ Nanomolecules: X-ray Crystallography, Optical, Electrochemical, and Theoretical Analysis Dass, Amala; Theivendran, Shevanuja; Nimmala, Praneeth Reddy Journal of the American Chemical Society, Vol. 137, Issue 14 https://doi.org/10.1021/ja513152h	journal	April 2015
CO-Induced Formation of an Interpenetrating Bicuboctahedral Au ₂ Pd ₁₈ Kernel in Nanosized Au ₂ Pd ₂₈ (CO) ₂₆ (PEt ₃ ) ₁₀ : Formal Replacement of an Interior (μ ₁₂ -Pd) ₂ Fragment in the Corresponding Known Isostructural Homopalladium Pd ₃₀ (CO) ₂₆ (PEt ₃ ) ₁₀ with Nonisovalent (μ ₁₂ -Au) ₂ and Resulting Experimental/Theoretical Implications Mednikov, Evgueni G.; Ivanov, Sergei A.; Dahl, Lawrence F. Inorganic Chemistry, Vol. 50, Issue 22 https://doi.org/10.1021/ic201923y	journal	November 2011
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements Check, Catherine E.; Faust, Timothy O.; Bailey, John M. The Journal of Physical Chemistry A, Vol. 105, Issue 34 https://doi.org/10.1021/jp011945l	journal	August 2001
Quasicrystals: A New Class of Ordered Structures Levine, Dov; Steinhardt, Paul Joseph Physical Review Letters, Vol. 53, Issue 26, p. 2477-2480 https://doi.org/10.1103/PhysRevLett.53.2477	journal	December 1984
Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms Wales, David J.; Doye, Jonathan P. K. The Journal of Physical Chemistry A, Vol. 101, Issue 28 https://doi.org/10.1021/jp970984n	journal	July 1997
Basis sets for transition metals: Optimized outer p functions Couty, Marc; Hall, Michael B. Journal of Computational Chemistry, Vol. 17, Issue 11 https://doi.org/10.1002/(SICI)1096-987X(199608)17:11<1359::AID-JCC9>3.3.CO;2-Z	journal	August 1996
The thirteen semiregular convex polyhedra and their duals Wenninger, Magnus J. Dual Models https://doi.org/10.1017/CBO9780511569371.005	book	December 1983
Nanosized Pd145(CO)x(PEt3)30 Containing a Capped Three-Shell 145-Atom Metal-Core Geometry of Pseudo Icosahedral Symmetry Tran, Nguyet T.; Powell, Douglas R.; Dahl, Lawrence F. Angewandte Chemie, Vol. 39, Issue 22 https://doi.org/10.1002/1521-3773(20001117)39:22<4121::AID-ANIE4121>3.0.CO;2-A	journal	November 2000
Polyhedra in (inorganic) chemistry Alvarez, Santiago Dalton Transactions, Issue 13 https://doi.org/10.1039/b503582c	journal	January 2005
Magic Numbers for Sphere Packings: Experimental Verification in Free Xenon Clusters Echt, O.; Sattler, K.; Recknagel, E. Physical Review Letters, Vol. 47, Issue 16 https://doi.org/10.1103/PhysRevLett.47.1121	journal	October 1981
Crystal and quasicrystal structures in Al-Mn-Si alloys Elser, Veit; Henley, Christopher L. Physical Review Letters, Vol. 55, Issue 26 https://doi.org/10.1103/PhysRevLett.55.2883	journal	December 1985
A quasicrystal structure model for AI-Mn Guyot, P.; Audier, M. Philosophical Magazine B, Vol. 52, Issue 1 https://doi.org/10.1080/13642818508243157	journal	July 1985
Clusters and Colloids: From Theory to Applications Schmid, Günter https://doi.org/10.1002/9783527616077	book	February 1994
What can calculations employing empirical potentials teach us about bare transition-metal clusters? Wales, David J.; Munro, Lindsey J.; Doye, Jonathan P. K. Journal of the Chemical Society, Dalton Transactions, Issue 5 https://doi.org/10.1039/dt9960000611	journal	January 1996
Structural consequences of the range of the interatomic potential A menagerie of clusters Doye, Jonathan P. K.; Wales, David J. Journal of the Chemical Society, Faraday Transactions, Vol. 93, Issue 24 https://doi.org/10.1039/a706221d	journal	January 1997
Crystal Structure of Barrel-Shaped Chiral Au ₁₃₀ ( p -MBT) ₅₀ Nanocluster Chen, Yuxiang; Zeng, Chenjie; Liu, Chong Journal of the American Chemical Society, Vol. 137, Issue 32 https://doi.org/10.1021/jacs.5b05378	journal	August 2015
Stability of Multiply-Twinned Particles Ino, Shozo Journal of the Physical Society of Japan, Vol. 27, Issue 4 https://doi.org/10.1143/JPSJ.27.941	journal	October 1969
Structure and binding of Lennard‐Jones clusters: 13≤ N ≤147 Northby, J. A. The Journal of Chemical Physics, Vol. 87, Issue 10 https://doi.org/10.1063/1.453492	journal	November 1987

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