Organometallic complexes for nonlinear optics. 52. Syntheses, structural, spectroscopic, quadratic nonlinear optical, and theoretical studies of Ru(C 2C6H4R-4)(κ2-dppf) (η5-C5H5) (R = H, NO2)

Bandar A. Babgi; Ahmed Al-Hindawi; Graeme J. Moxey; Fazira I. Abdul Razak; Marie P. Cifuentes; Erandi Kulasekera; Robert Stranger; Ayele Teshome; Inge Asselberghs; Koen Clays; Mark G. Humphrey

doi:10.1016/j.jorganchem.2012.12.039

Organometallic complexes for nonlinear optics. 52. Syntheses, structural, spectroscopic, quadratic nonlinear optical, and theoretical studies of Ru(C ₂C₆H₄R-4)(κ²-dppf) (η⁵-C₅H₅) (R = H, NO₂)

Bandar A. Babgi, Ahmed Al-Hindawi, Graeme J. Moxey, Fazira I. Abdul Razak, Marie P. Cifuentes, Erandi Kulasekera, Robert Stranger, Ayele Teshome, Inge Asselberghs, Koen Clays, Mark G. Humphrey^*

^*Corresponding author for this work

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9 Citations (Scopus)

Abstract

The synthesis of Ru(CCC₆H₄-4-NO₂) (κ²-dppf)(η⁵-C₅H₅) (1) is reported, together with spectroscopic, X-ray structural, linear optical and quadratic nonlinear optical (NLO) studies of 1 and Ru(CCPh)(κ²- dppf)(η⁵-C₅H₅) (2), the last-mentioned using the hyper-Rayleigh scattering technique at 1064 nm. Quadratic nonlinearities for these dppf-containing complexes are comparable to those of their dppe-containing analogues and significantly greater than carbonyl-containing analogues. The linear optical and quadratic NLO properties of 1, 2 and their dppe-containing analogues have been rationalized by time-dependent density functional theory calculations.

Original language	English
Pages (from-to)	108-115
Number of pages	8
Journal	Journal of Organometallic Chemistry
Volume	730
DOIs	https://doi.org/10.1016/j.jorganchem.2012.12.039
Publication status	Published - 15 Apr 2013

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Babgi, B. A., Al-Hindawi, A., Moxey, G. J., Abdul Razak, F. I., Cifuentes, M. P., Kulasekera, E., Stranger, R., Teshome, A., Asselberghs, I., Clays, K., & Humphrey, M. G. (2013). Organometallic complexes for nonlinear optics. 52. Syntheses, structural, spectroscopic, quadratic nonlinear optical, and theoretical studies of Ru(C ₂C₆H₄R-4)(κ²-dppf) (η⁵-C₅H₅) (R = H, NO₂). Journal of Organometallic Chemistry, 730, 108-115. https://doi.org/10.1016/j.jorganchem.2012.12.039

@article{3157a73981cc49b6bd9298ae3523642c,

title = "Organometallic complexes for nonlinear optics. 52. Syntheses, structural, spectroscopic, quadratic nonlinear optical, and theoretical studies of Ru(C 2C6H4R-4)(κ2-dppf) (η5-C5H5) (R = H, NO2)",

abstract = "The synthesis of Ru(CCC6H4-4-NO2) (κ2-dppf)(η5-C5H5) (1) is reported, together with spectroscopic, X-ray structural, linear optical and quadratic nonlinear optical (NLO) studies of 1 and Ru(CCPh)(κ2- dppf)(η5-C5H5) (2), the last-mentioned using the hyper-Rayleigh scattering technique at 1064 nm. Quadratic nonlinearities for these dppf-containing complexes are comparable to those of their dppe-containing analogues and significantly greater than carbonyl-containing analogues. The linear optical and quadratic NLO properties of 1, 2 and their dppe-containing analogues have been rationalized by time-dependent density functional theory calculations.",

keywords = "Alkynyl, Crystal structure, Density functional theory calculations, Nonlinear optics, Ruthenium",

author = "Babgi, {Bandar A.} and Ahmed Al-Hindawi and Moxey, {Graeme J.} and {Abdul Razak}, {Fazira I.} and Cifuentes, {Marie P.} and Erandi Kulasekera and Robert Stranger and Ayele Teshome and Inge Asselberghs and Koen Clays and Humphrey, {Mark G.}",

year = "2013",

month = apr,

day = "15",

doi = "10.1016/j.jorganchem.2012.12.039",

language = "English",

volume = "730",

pages = "108--115",

journal = "Journal of Organometallic Chemistry",

issn = "0022-328X",

publisher = "Elsevier B.V.",

}

Babgi, BA, Al-Hindawi, A, Moxey, GJ, Abdul Razak, FI, Cifuentes, MP, Kulasekera, E, Stranger, R, Teshome, A, Asselberghs, I, Clays, K & Humphrey, MG 2013, 'Organometallic complexes for nonlinear optics. 52. Syntheses, structural, spectroscopic, quadratic nonlinear optical, and theoretical studies of Ru(C ₂C₆H₄R-4)(κ²-dppf) (η⁵-C₅H₅) (R = H, NO₂)', Journal of Organometallic Chemistry, vol. 730, pp. 108-115. https://doi.org/10.1016/j.jorganchem.2012.12.039

Organometallic complexes for nonlinear optics. 52. Syntheses, structural, spectroscopic, quadratic nonlinear optical, and theoretical studies of Ru(C ₂C₆H₄R-4)(κ²-dppf) (η⁵-C₅H₅) (R = H, NO₂). / Babgi, Bandar A.; Al-Hindawi, Ahmed; Moxey, Graeme J. et al.
In: Journal of Organometallic Chemistry, Vol. 730, 15.04.2013, p. 108-115.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Organometallic complexes for nonlinear optics. 52. Syntheses, structural, spectroscopic, quadratic nonlinear optical, and theoretical studies of Ru(C 2C6H4R-4)(κ2-dppf) (η5-C5H5) (R = H, NO2)

AU - Babgi, Bandar A.

AU - Al-Hindawi, Ahmed

AU - Moxey, Graeme J.

AU - Abdul Razak, Fazira I.

AU - Cifuentes, Marie P.

AU - Kulasekera, Erandi

AU - Stranger, Robert

AU - Teshome, Ayele

AU - Asselberghs, Inge

AU - Clays, Koen

AU - Humphrey, Mark G.

PY - 2013/4/15

Y1 - 2013/4/15

N2 - The synthesis of Ru(CCC6H4-4-NO2) (κ2-dppf)(η5-C5H5) (1) is reported, together with spectroscopic, X-ray structural, linear optical and quadratic nonlinear optical (NLO) studies of 1 and Ru(CCPh)(κ2- dppf)(η5-C5H5) (2), the last-mentioned using the hyper-Rayleigh scattering technique at 1064 nm. Quadratic nonlinearities for these dppf-containing complexes are comparable to those of their dppe-containing analogues and significantly greater than carbonyl-containing analogues. The linear optical and quadratic NLO properties of 1, 2 and their dppe-containing analogues have been rationalized by time-dependent density functional theory calculations.

AB - The synthesis of Ru(CCC6H4-4-NO2) (κ2-dppf)(η5-C5H5) (1) is reported, together with spectroscopic, X-ray structural, linear optical and quadratic nonlinear optical (NLO) studies of 1 and Ru(CCPh)(κ2- dppf)(η5-C5H5) (2), the last-mentioned using the hyper-Rayleigh scattering technique at 1064 nm. Quadratic nonlinearities for these dppf-containing complexes are comparable to those of their dppe-containing analogues and significantly greater than carbonyl-containing analogues. The linear optical and quadratic NLO properties of 1, 2 and their dppe-containing analogues have been rationalized by time-dependent density functional theory calculations.

KW - Alkynyl

KW - Crystal structure

KW - Density functional theory calculations

KW - Nonlinear optics

KW - Ruthenium

UR - http://www.scopus.com/inward/record.url?scp=84875883478&partnerID=8YFLogxK

U2 - 10.1016/j.jorganchem.2012.12.039

DO - 10.1016/j.jorganchem.2012.12.039

M3 - Article

SN - 0022-328X

VL - 730

SP - 108

EP - 115

JO - Journal of Organometallic Chemistry

JF - Journal of Organometallic Chemistry

ER -

Babgi BA, Al-Hindawi A, Moxey GJ, Abdul Razak FI, Cifuentes MP, Kulasekera E et al. Organometallic complexes for nonlinear optics. 52. Syntheses, structural, spectroscopic, quadratic nonlinear optical, and theoretical studies of Ru(C ₂C₆H₄R-4)(κ²-dppf) (η⁵-C₅H₅) (R = H, NO₂). Journal of Organometallic Chemistry. 2013 Apr 15;730:108-115. doi: 10.1016/j.jorganchem.2012.12.039

Organometallic complexes for nonlinear optics. 52. Syntheses, structural, spectroscopic, quadratic nonlinear optical, and theoretical studies of Ru(C ₂C₆H₄R-4)(κ²-dppf) (η⁵-C₅H₅) (R = H, NO₂)

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