The exopolyhedral ligand orientation (ELO) in 3-(nitrato-κO)-3,3-bis(triphenylphosphane-κP)-3-rhoda-1,2-dicarba-closo-dodecaborane(11) dichloromethane 2.2-solvate

Georgina M. Rosair; Greig Scott; Alan J. Welch

doi:10.1107/S2053229615008724

The exopolyhedral ligand orientation (ELO) in 3-(nitrato-κO)-3,3-bis(triphenylphosphane-κP)-3-rhoda-1,2-dicarba-closo-dodecaborane(11) dichloromethane 2.2-solvate

Georgina M. Rosair, Greig Scott, Alan J. Welch^*

^*Corresponding author for this work

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

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Abstract

In the title compound, [Rh(C<inf>2</inf>H<inf>11</inf>B<inf>9</inf>)(NO<inf>3</inf>)(C<inf>18</inf>H<inf>15</inf>P)<inf>2</inf>]·2.2CH<inf>2</inf>Cl<inf>2</inf>, studied as a 2.2-solvate of what was assumed to be dichloromethane, the nitrate ligand lies cis with respect to both cage C atoms. Accordingly, the compound displays a pronounced preferred exopolyhedral ligand orientation (ELO) which is traced to both the greater trans influence of the cage B over the cage C atoms and the greater trans influence of the triphenylphosphane ligands over the nitrate ligand. The overall molecular architecture therefore agrees with that of a number of similar 3-L-3,3-L′2-3,1,2-closo-MC<inf>2</inf>B<inf>9</inf>H<inf>11</inf> species in the literature.

Original language	English
Pages (from-to)	461-464
Number of pages	4
Journal	Acta Crystallographica Section C: Structural Chemistry
Volume	71
DOIs	https://doi.org/10.1107/S2053229615008724
Publication status	Published - 1 Jun 2015

Keywords

boron-hydrogen distance (BHD) method
crystal structure vertex-to-centroid distance (VCD) method
dodecaborane(11)
exopolyhedral ligand orientation (ELO)
metallacarboranes
trans influence

ASJC Scopus subject areas

Inorganic Chemistry
Physical and Theoretical Chemistry
Materials Chemistry
Condensed Matter Physics

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title = "The exopolyhedral ligand orientation (ELO) in 3-(nitrato-κO)-3,3-bis(triphenylphosphane-κP)-3-rhoda-1,2-dicarba-closo-dodecaborane(11) dichloromethane 2.2-solvate",

abstract = "In the title compound, [Rh(C2H11B9)(NO3)(C18H15P)2]·2.2CH2Cl2, studied as a 2.2-solvate of what was assumed to be dichloromethane, the nitrate ligand lies cis with respect to both cage C atoms. Accordingly, the compound displays a pronounced preferred exopolyhedral ligand orientation (ELO) which is traced to both the greater trans influence of the cage B over the cage C atoms and the greater trans influence of the triphenylphosphane ligands over the nitrate ligand. The overall molecular architecture therefore agrees with that of a number of similar 3-L-3,3-L′2-3,1,2-closo-MC2B9H11 species in the literature.",

keywords = "boron-hydrogen distance (BHD) method, crystal structure vertex-to-centroid distance (VCD) method, dodecaborane(11), exopolyhedral ligand orientation (ELO), metallacarboranes, trans influence",

author = "Rosair, {Georgina M.} and Greig Scott and Welch, {Alan J.}",

note = "{"}The authors thank the EPSRC for a studentship awarded to GS.{"}",

year = "2015",

month = jun,

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doi = "10.1107/S2053229615008724",

language = "English",

volume = "71",

pages = "461--464",

journal = "Acta Crystallographica Section C: Structural Chemistry",

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publisher = "John Wiley and Sons Inc.",

}

The exopolyhedral ligand orientation (ELO) in 3-(nitrato-κO)-3,3-bis(triphenylphosphane-κP)-3-rhoda-1,2-dicarba-closo-dodecaborane(11) dichloromethane 2.2-solvate. / Rosair, Georgina M.; Scott, Greig; Welch, Alan J.
In: Acta Crystallographica Section C: Structural Chemistry, Vol. 71, 01.06.2015, p. 461-464.

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

TY - JOUR

T1 - The exopolyhedral ligand orientation (ELO) in 3-(nitrato-κO)-3,3-bis(triphenylphosphane-κP)-3-rhoda-1,2-dicarba-closo-dodecaborane(11) dichloromethane 2.2-solvate

AU - Rosair, Georgina M.

AU - Scott, Greig

AU - Welch, Alan J.

N1 - "The authors thank the EPSRC for a studentship awarded to GS."

PY - 2015/6/1

Y1 - 2015/6/1

N2 - In the title compound, [Rh(C2H11B9)(NO3)(C18H15P)2]·2.2CH2Cl2, studied as a 2.2-solvate of what was assumed to be dichloromethane, the nitrate ligand lies cis with respect to both cage C atoms. Accordingly, the compound displays a pronounced preferred exopolyhedral ligand orientation (ELO) which is traced to both the greater trans influence of the cage B over the cage C atoms and the greater trans influence of the triphenylphosphane ligands over the nitrate ligand. The overall molecular architecture therefore agrees with that of a number of similar 3-L-3,3-L′2-3,1,2-closo-MC2B9H11 species in the literature.

AB - In the title compound, [Rh(C2H11B9)(NO3)(C18H15P)2]·2.2CH2Cl2, studied as a 2.2-solvate of what was assumed to be dichloromethane, the nitrate ligand lies cis with respect to both cage C atoms. Accordingly, the compound displays a pronounced preferred exopolyhedral ligand orientation (ELO) which is traced to both the greater trans influence of the cage B over the cage C atoms and the greater trans influence of the triphenylphosphane ligands over the nitrate ligand. The overall molecular architecture therefore agrees with that of a number of similar 3-L-3,3-L′2-3,1,2-closo-MC2B9H11 species in the literature.

KW - boron-hydrogen distance (BHD) method

KW - crystal structure vertex-to-centroid distance (VCD) method

KW - dodecaborane(11)

KW - exopolyhedral ligand orientation (ELO)

KW - metallacarboranes

KW - trans influence

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DO - 10.1107/S2053229615008724

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AN - SCOPUS:84930806475

SN - 2053-2296

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JO - Acta Crystallographica Section C: Structural Chemistry

JF - Acta Crystallographica Section C: Structural Chemistry

ER -

The exopolyhedral ligand orientation (ELO) in 3-(nitrato-κO)-3,3-bis(triphenylphosphane-κP)-3-rhoda-1,2-dicarba-closo-dodecaborane(11) dichloromethane 2.2-solvate

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