Organometallic complexes for nonlinear optics VI: Syntheses of rigid-rod ruthenium σ-acetylide complexes bearing strong acceptor ligands; X-ray crystal structures of trans-[Ru(C≡CC6H4NO2-4)2 (dppm)2]

Andrew M. McDonagh; Ian R. Whittall; Mark G. Humphrey; David C.R. Hockless; Brian W. Skelton; Allan H. White

doi:10.1016/0022-328X(96)06384-X

Organometallic complexes for nonlinear optics VI: Syntheses of rigid-rod ruthenium σ-acetylide complexes bearing strong acceptor ligands; X-ray crystal structures of trans-[Ru(C≡CC₆H₄NO₂-4)₂ (dppm)₂]

Andrew M. McDonagh, Ian R. Whittall, Mark G. Humphrey^*, David C.R. Hockless, Brian W. Skelton, Allan H. White

^*Corresponding author for this work

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Abstract

A series of systematically-varied 'rigid-rod' octahedral ruthenium acetylide complexes, bearing the strong acceptor substituent -NO₂, of general formula trans-[Ru(C≡CC₆H₄R-4)₂(dppm)₂] (R = NO₂, C₆H₄NO₂-4, C₆H₄CH=CHC₆H₄NO₂-4, (E)) has been synthesized. X-ray structural studies of trans-[Ru(C≡CC₆H₄R-4)₂(dppm)₂] (R = NO₂, C₆H₄NO₂-4) confirm the trans-disposed geometry of the acetylide ligands and, for the latter, non-planarity of the biphenylene groups. The mixed acetylide 'rigid-rod' complex trans-[Ru(C≡CPh)(C≡CC₆H₄NO₂-4)(dppm)₂] has also been prepared. Semiempirical calculations employing ZINDO were performed on the mixed-acetylide complex, the results suggesting that the effect of trans-disposed ligands on the molecular quadratic hyperpolarizability β is not additive.

Original language	English
Pages (from-to)	33-40
Number of pages	8
Journal	Journal of Organometallic Chemistry
Volume	523
Issue number	1
DOIs	https://doi.org/10.1016/0022-328X(96)06384-X
Publication status	Published - 4 Oct 1996

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McDonagh, A. M., Whittall, I. R., Humphrey, M. G., Hockless, D. C. R., Skelton, B. W., & White, A. H. (1996). Organometallic complexes for nonlinear optics VI: Syntheses of rigid-rod ruthenium σ-acetylide complexes bearing strong acceptor ligands; X-ray crystal structures of trans-[Ru(C≡CC₆H₄NO₂-4)₂ (dppm)₂]. Journal of Organometallic Chemistry, 523(1), 33-40. https://doi.org/10.1016/0022-328X(96)06384-X

@article{be950502aa654d28b8c4c5d54239d223,

title = "Organometallic complexes for nonlinear optics VI: Syntheses of rigid-rod ruthenium σ-acetylide complexes bearing strong acceptor ligands; X-ray crystal structures of trans-[Ru(C≡CC6H4NO2-4)2 (dppm)2]",

abstract = "A series of systematically-varied 'rigid-rod' octahedral ruthenium acetylide complexes, bearing the strong acceptor substituent -NO2, of general formula trans-[Ru(C≡CC6H4R-4)2(dppm)2] (R = NO2, C6H4NO2-4, C6H4CH=CHC6H4NO2-4, (E)) has been synthesized. X-ray structural studies of trans-[Ru(C≡CC6H4R-4)2(dppm)2] (R = NO2, C6H4NO2-4) confirm the trans-disposed geometry of the acetylide ligands and, for the latter, non-planarity of the biphenylene groups. The mixed acetylide 'rigid-rod' complex trans-[Ru(C≡CPh)(C≡CC6H4NO2-4)(dppm)2] has also been prepared. Semiempirical calculations employing ZINDO were performed on the mixed-acetylide complex, the results suggesting that the effect of trans-disposed ligands on the molecular quadratic hyperpolarizability β is not additive.",

keywords = "Acetylide, Alkynyl, Crystal structure, Nonlinear optics, Quadratic hyperpolarizabilities, Ruthenium",

author = "McDonagh, {Andrew M.} and Whittall, {Ian R.} and Humphrey, {Mark G.} and Hockless, {David C.R.} and Skelton, {Brian W.} and White, {Allan H.}",

year = "1996",

month = oct,

day = "4",

doi = "10.1016/0022-328X(96)06384-X",

language = "English",

volume = "523",

pages = "33--40",

journal = "Journal of Organometallic Chemistry",

issn = "0022-328X",

publisher = "Elsevier B.V.",

number = "1",

}

McDonagh, AM, Whittall, IR, Humphrey, MG, Hockless, DCR, Skelton, BW & White, AH 1996, 'Organometallic complexes for nonlinear optics VI: Syntheses of rigid-rod ruthenium σ-acetylide complexes bearing strong acceptor ligands; X-ray crystal structures of trans-[Ru(C≡CC₆H₄NO₂-4)₂ (dppm)₂]', Journal of Organometallic Chemistry, vol. 523, no. 1, pp. 33-40. https://doi.org/10.1016/0022-328X(96)06384-X

Organometallic complexes for nonlinear optics VI: Syntheses of rigid-rod ruthenium σ-acetylide complexes bearing strong acceptor ligands; X-ray crystal structures of trans-[Ru(C≡CC₆H₄NO₂-4)₂ (dppm)₂]. / McDonagh, Andrew M.; Whittall, Ian R.; Humphrey, Mark G. et al.
In: Journal of Organometallic Chemistry, Vol. 523, No. 1, 04.10.1996, p. 33-40.

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

TY - JOUR

T1 - Organometallic complexes for nonlinear optics VI

T2 - Syntheses of rigid-rod ruthenium σ-acetylide complexes bearing strong acceptor ligands; X-ray crystal structures of trans-[Ru(C≡CC6H4NO2-4)2 (dppm)2]

AU - McDonagh, Andrew M.

AU - Whittall, Ian R.

AU - Humphrey, Mark G.

AU - Hockless, David C.R.

AU - Skelton, Brian W.

AU - White, Allan H.

PY - 1996/10/4

Y1 - 1996/10/4

N2 - A series of systematically-varied 'rigid-rod' octahedral ruthenium acetylide complexes, bearing the strong acceptor substituent -NO2, of general formula trans-[Ru(C≡CC6H4R-4)2(dppm)2] (R = NO2, C6H4NO2-4, C6H4CH=CHC6H4NO2-4, (E)) has been synthesized. X-ray structural studies of trans-[Ru(C≡CC6H4R-4)2(dppm)2] (R = NO2, C6H4NO2-4) confirm the trans-disposed geometry of the acetylide ligands and, for the latter, non-planarity of the biphenylene groups. The mixed acetylide 'rigid-rod' complex trans-[Ru(C≡CPh)(C≡CC6H4NO2-4)(dppm)2] has also been prepared. Semiempirical calculations employing ZINDO were performed on the mixed-acetylide complex, the results suggesting that the effect of trans-disposed ligands on the molecular quadratic hyperpolarizability β is not additive.

AB - A series of systematically-varied 'rigid-rod' octahedral ruthenium acetylide complexes, bearing the strong acceptor substituent -NO2, of general formula trans-[Ru(C≡CC6H4R-4)2(dppm)2] (R = NO2, C6H4NO2-4, C6H4CH=CHC6H4NO2-4, (E)) has been synthesized. X-ray structural studies of trans-[Ru(C≡CC6H4R-4)2(dppm)2] (R = NO2, C6H4NO2-4) confirm the trans-disposed geometry of the acetylide ligands and, for the latter, non-planarity of the biphenylene groups. The mixed acetylide 'rigid-rod' complex trans-[Ru(C≡CPh)(C≡CC6H4NO2-4)(dppm)2] has also been prepared. Semiempirical calculations employing ZINDO were performed on the mixed-acetylide complex, the results suggesting that the effect of trans-disposed ligands on the molecular quadratic hyperpolarizability β is not additive.

KW - Acetylide

KW - Alkynyl

KW - Crystal structure

KW - Nonlinear optics

KW - Quadratic hyperpolarizabilities

KW - Ruthenium

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U2 - 10.1016/0022-328X(96)06384-X

DO - 10.1016/0022-328X(96)06384-X

M3 - Article

AN - SCOPUS:0030568915

SN - 0022-328X

VL - 523

SP - 33

EP - 40

JO - Journal of Organometallic Chemistry

JF - Journal of Organometallic Chemistry

IS - 1

ER -

McDonagh AM, Whittall IR, Humphrey MG, Hockless DCR, Skelton BW, White AH. Organometallic complexes for nonlinear optics VI: Syntheses of rigid-rod ruthenium σ-acetylide complexes bearing strong acceptor ligands; X-ray crystal structures of trans-[Ru(C≡CC₆H₄NO₂-4)₂ (dppm)₂]. Journal of Organometallic Chemistry. 1996 Oct 4;523(1):33-40. doi: 10.1016/0022-328X(96)06384-X

Organometallic complexes for nonlinear optics VI: Syntheses of rigid-rod ruthenium σ-acetylide complexes bearing strong acceptor ligands; X-ray crystal structures of trans-[Ru(C≡CC₆H₄NO₂-4)₂ (dppm)₂]

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