Synthesis, characterization, and electronic structures of a series of two-dimensional trimetallic cluster complexes, Ru3(CO) 9(μ-SnPh2)3[Pt(PBut 3)]x, x = 0-3

Richard D. Adams, Burjor Captain, Michael B. Hall, Eszter Trufan, Xinzheng Yang

Research output: Contribution to journalArticle

35 Citations (Scopus)

Abstract

The triruthenium-tritin cluster complex, Ru3(CO) 9(μ-SnPh2)3, 13 was obtained from the reaction of Ru3(CO)12 with Ph3SnH. Compound 13 reacts with Pt(PBut3)2 to yield three new Pt(PBut3) adducts of 13 Ru3(CO) 9(μ-SnPh2)3[Pt(PBut 3]x, 14-16 x = 1 - 3 formed by the addition of Pt(PBu t3) groups to the Ru-Sn bonds. The new complexes form a novel series of trimetallic complexes having planar arrangements of the metal atoms. The UV-vis absorptions of the four complexes shift progressively to longer wavelengths as the number of platinum atoms is added to the cluster. The electronic structures of these complexes have been investigated in the ground and excited states by density functional theory and time-dependent density functional theory, and this has provided a detailed understanding of the metal-metal bonding and electronic transitions that are responsible for their UV-vis absorption properties. The predicted absorption maximum for the model structures for 13, 14, 15, and 16 at 465, 508, 556, and 585 nm differ only 4-18 nm from the experimental values of 474, 490, 552, and 576 nm. The shift of principal UV-vis absorption can be explained by a lowering of the HOMO-LUMO energy gap due to interactions of the platinum atoms with the HOMO and LUMO of the Ru3Sn3 core.

Original languageEnglish
Pages (from-to)12328-12340
Number of pages13
JournalJournal of the American Chemical Society
Volume129
Issue number40
DOIs
StatePublished - Oct 10 2007
Externally publishedYes

Fingerprint

Carbon Monoxide
Electronic structure
Metals
Platinum
Atoms
Density functional theory
Model structures
Excited states
Ground state
Energy gap
Wavelength

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Synthesis, characterization, and electronic structures of a series of two-dimensional trimetallic cluster complexes, Ru3(CO) 9(μ-SnPh2)3[Pt(PBut 3)]x, x = 0-3. / Adams, Richard D.; Captain, Burjor; Hall, Michael B.; Trufan, Eszter; Yang, Xinzheng.

In: Journal of the American Chemical Society, Vol. 129, No. 40, 10.10.2007, p. 12328-12340.

Research output: Contribution to journalArticle

@article{8a05bff4088e44779d6fd7a6e1d81e6e,
title = "Synthesis, characterization, and electronic structures of a series of two-dimensional trimetallic cluster complexes, Ru3(CO) 9(μ-SnPh2)3[Pt(PBut 3)]x, x = 0-3",
abstract = "The triruthenium-tritin cluster complex, Ru3(CO) 9(μ-SnPh2)3, 13 was obtained from the reaction of Ru3(CO)12 with Ph3SnH. Compound 13 reacts with Pt(PBut3)2 to yield three new Pt(PBut3) adducts of 13 Ru3(CO) 9(μ-SnPh2)3[Pt(PBut 3]x, 14-16 x = 1 - 3 formed by the addition of Pt(PBu t3) groups to the Ru-Sn bonds. The new complexes form a novel series of trimetallic complexes having planar arrangements of the metal atoms. The UV-vis absorptions of the four complexes shift progressively to longer wavelengths as the number of platinum atoms is added to the cluster. The electronic structures of these complexes have been investigated in the ground and excited states by density functional theory and time-dependent density functional theory, and this has provided a detailed understanding of the metal-metal bonding and electronic transitions that are responsible for their UV-vis absorption properties. The predicted absorption maximum for the model structures for 13, 14, 15, and 16 at 465, 508, 556, and 585 nm differ only 4-18 nm from the experimental values of 474, 490, 552, and 576 nm. The shift of principal UV-vis absorption can be explained by a lowering of the HOMO-LUMO energy gap due to interactions of the platinum atoms with the HOMO and LUMO of the Ru3Sn3 core.",
author = "Adams, {Richard D.} and Burjor Captain and Hall, {Michael B.} and Eszter Trufan and Xinzheng Yang",
year = "2007",
month = "10",
day = "10",
doi = "10.1021/ja074527o",
language = "English",
volume = "129",
pages = "12328--12340",
journal = "Journal of the American Chemical Society",
issn = "0002-7863",
publisher = "American Chemical Society",
number = "40",

}

TY - JOUR

T1 - Synthesis, characterization, and electronic structures of a series of two-dimensional trimetallic cluster complexes, Ru3(CO) 9(μ-SnPh2)3[Pt(PBut 3)]x, x = 0-3

AU - Adams, Richard D.

AU - Captain, Burjor

AU - Hall, Michael B.

AU - Trufan, Eszter

AU - Yang, Xinzheng

PY - 2007/10/10

Y1 - 2007/10/10

N2 - The triruthenium-tritin cluster complex, Ru3(CO) 9(μ-SnPh2)3, 13 was obtained from the reaction of Ru3(CO)12 with Ph3SnH. Compound 13 reacts with Pt(PBut3)2 to yield three new Pt(PBut3) adducts of 13 Ru3(CO) 9(μ-SnPh2)3[Pt(PBut 3]x, 14-16 x = 1 - 3 formed by the addition of Pt(PBu t3) groups to the Ru-Sn bonds. The new complexes form a novel series of trimetallic complexes having planar arrangements of the metal atoms. The UV-vis absorptions of the four complexes shift progressively to longer wavelengths as the number of platinum atoms is added to the cluster. The electronic structures of these complexes have been investigated in the ground and excited states by density functional theory and time-dependent density functional theory, and this has provided a detailed understanding of the metal-metal bonding and electronic transitions that are responsible for their UV-vis absorption properties. The predicted absorption maximum for the model structures for 13, 14, 15, and 16 at 465, 508, 556, and 585 nm differ only 4-18 nm from the experimental values of 474, 490, 552, and 576 nm. The shift of principal UV-vis absorption can be explained by a lowering of the HOMO-LUMO energy gap due to interactions of the platinum atoms with the HOMO and LUMO of the Ru3Sn3 core.

AB - The triruthenium-tritin cluster complex, Ru3(CO) 9(μ-SnPh2)3, 13 was obtained from the reaction of Ru3(CO)12 with Ph3SnH. Compound 13 reacts with Pt(PBut3)2 to yield three new Pt(PBut3) adducts of 13 Ru3(CO) 9(μ-SnPh2)3[Pt(PBut 3]x, 14-16 x = 1 - 3 formed by the addition of Pt(PBu t3) groups to the Ru-Sn bonds. The new complexes form a novel series of trimetallic complexes having planar arrangements of the metal atoms. The UV-vis absorptions of the four complexes shift progressively to longer wavelengths as the number of platinum atoms is added to the cluster. The electronic structures of these complexes have been investigated in the ground and excited states by density functional theory and time-dependent density functional theory, and this has provided a detailed understanding of the metal-metal bonding and electronic transitions that are responsible for their UV-vis absorption properties. The predicted absorption maximum for the model structures for 13, 14, 15, and 16 at 465, 508, 556, and 585 nm differ only 4-18 nm from the experimental values of 474, 490, 552, and 576 nm. The shift of principal UV-vis absorption can be explained by a lowering of the HOMO-LUMO energy gap due to interactions of the platinum atoms with the HOMO and LUMO of the Ru3Sn3 core.

UR - http://www.scopus.com/inward/record.url?scp=35048841572&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=35048841572&partnerID=8YFLogxK

U2 - 10.1021/ja074527o

DO - 10.1021/ja074527o

M3 - Article

C2 - 17880082

AN - SCOPUS:35048841572

VL - 129

SP - 12328

EP - 12340

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

SN - 0002-7863

IS - 40

ER -