Structure of diiodine adducts of some di- and tri-tertiaryphosphines
in the solid state and in solution
a
,a
,a
b
Neil Bricklebank, Stephen M. Godfrey,* Charles A. McAuliffe,* Paula Deplano,
b
a
Marie L. Mercuri and Joanne M. Sheffield
a
Department of Chemistry University of Manchester, Institute of Science and Technology,
PO Box 88, Manchester, UK M60 1QD
b
Dipartimento di Chimica Inorganische, University of Cagliari, Via Ospedale 72, 09124 Cagliari,
Italy
A series of ditertiaryphosphine–tetraiodine adducts R P(I )(CH ) P(I )R (R = Ph, n = 1–4; R = PhCH or
2
2
2
n
2
2
2
o-CH C H , n = 2) and two tritertiaryphosphine–hexaiodine adducts, PhP(CH CH PPh ) I and CH C(CH -
3
6
4
2
2
2
2
6
3
2
31
PPh ) I have been prepared and characterised by P-{H} solution NMR and Raman spectroscopy. In the case
2
3 6
31
of Ph P(I )(CH ) P(I )Ph (n = 2 or 4), P-{H} NMR magic angle spinning NMR spectroscopy has been used to
2
2
2
n
2
2
investigate the nature of the compounds in the solid state. In agreement with our previous extensive studies on
the monophosphine derivatives, R PI , the tetraiododiphosphine compounds Ph P(I )(CH ) P(I )Ph (n = 2 or 4)
3
2
2
2
2
n
2
2
isolated from diethyl ether contain molecular four-co-ordinate phosphorus centres onto which the diiodine is
31
bound as a linear spoke, as indicated by their P-{H} NMR shifts obtained in CDCl solution. Again, in agree-
3
ment with our previous solution studies of the monophosphine derivatives R PI , the diphosphine–tetraiodine
3
2
adducts completely ionise in CDCl solution to produce the ionic compounds [R P(I)(CH ) P(I)R ]2I; the
3
2
2
n
2
31
solution P-{H} NMR shifts are very similar to analogous solution shifts previously assigned to [R PI]I. The
3
Raman band assignable to ν(P᎐I) has been identified for the compounds and a further band at lower frequency
has been observed and assigned to ν(I᎐I). Although the solid-state NMR spectra of the triphosphine–hexaiodine
adducts were not recorded, a band assignable to ν(I᎐I) was observed in the Raman spectrum, suggesting the
molecular four-co-ordinate spoke structure also prevails for these hexaiodotritertiaryphosphine compounds in
31
the solid state. From solution P-{H} NMR shifts these adducts also appear to ionise in CDCl solution.
3
6
Reports concerning the reaction of di- or poly-tertiary-
phosphines with dihalogens are extremely scarce and, in the few
examples available, the products formed have not been well
characterised. The tetrachloro adduct of bis(dimethylphos-
or (CH ᎐CHCH ) Ph]. Additionally, we have also identified
2
᎐
2 2
some R PI2 compounds which, whilst being predominantly
molecular R P᎐I᎐I, also contain a small but significant propor-
tion of the ionic species, [R Pl]I, [R = (p-FC H ) Ph, (C H )-
Ph , (PhCH CH ) , (o-CH OC H )Ph or (CH CHCH )Ph ],
2 2 2 3 3 6 4 2 2 2 2
31 6
3
3
3
3
6
4
2
6
11
1
phino)ethane, Me P(Cl )CH CH P(Cl )Me and the tetra-
2
2
2
2
2
2
bromo and tetraiodo adducts of bis(diphenylphosphino)ethane,
again from solid-state MAS P-{H} NMR results. Consider-
ing the renewed interest in triorganophosphorus dihalogen
compounds, and the fact that virtually nothing is known
regarding the products formed from the reaction of diphos-
phine or polyphosphine compounds with dihalogens, we felt
that an investigation into the diiodine adducts of these species
was worthwhile. Specifically, we were interested to know if these
di- and poly-tertiaryphosphine–diiodine adducts adopted the
four-co-ordinate molecular spoke structure exhibited by the
2
Ph P(X )CH CH P(X )Ph (X = Br or I) have been reported.
2
2
2
2
2
2
No attempt was made to isolate or characterise the products
formed, which were assigned an ionic structure, [R P(X)CH -
2
2
2ϩ
Ϫ
CH P(X)R ] 2[X] (R = Me, X = Cl; R = Ph, X = Br or I) in
2
2
the solid state. Similarly, the dihalogen adducts of the polyden-
tate phosphine C(CH PPh ) have been prepared and character-
2
2 4
3
ised. It was concluded that these were also phosphonium salts
C{CH P(X)Ph } ] 4[X] (X = Cl, Br or I). The only inter-
4
ϩ
Ϫ
[
2 2 4
halogen adduct which has been reported is the BrCl adduct
of bis(dimethylphosphino)ethane which was postulated to be
majority of our monophosphine diiodine compounds, R P᎐I᎐I.
3
1
Additionally, we have already demonstrated the ability of R PI2
3
Me P(Cl, Br)CH CH P(Cl, Br)Me but again no characterisa-
compounds to oxidise crude metals at ambient temperatures to
2
2
2
2
tion of this product was reported. Clearly, the nature of di- and
poly-tertiaryphosphine dihalogen adducts is very poorly
understood.
produce, in some cases, unpredictable products, e.g. Aul -
3
9
(PMe ) . Here we report the characterisation of some diiodine
3
2
adducts of di- and tri-tertiary phosphines and we will describe
their utilisation as reagents for metal activation in due course. It
is thus likely that the reaction of these species with metal
powders will result in novel products (analogous to the reaction
of R PI with metal powders) which, considering the ubiquitous
Our interest in this area stems from our discovery that, when
prepared in diethyl ether monophosphine–diiodine adducts,
R PI , do not exhibit trigonal-bipyramidal geometry or an ionic
3
2
formulation, [R PI]I, but rather than a molecular charge-
3
3
2
transfer structure, R P᎐I᎐I, where the diiodine binds to the
use of diphosphine ligands in co-ordination chemistry, is clearly
of importance. We therefore report a comprehensive study of
di- and poly-phosphine–diiodine adducts isolated from diethyl
ether and have characterised these compounds by elemental
3
4–6
phosphorus centre as a linear ‘spoke’. Such an observation
was unexpected and contrasts with conventional wisdom
7,8
which, for example, from vibrational spectroscopic studies,
31
did not consider this structural modification. We have since
shown that this charge-transfer structure is the norm for almost
all compounds of stoichiometry R PI prepared in diethyl ether,
analysis, P-{H} NMR solution spectroscopy and solid-state
Raman spectroscopy. In the case of the compounds Ph -
2
31
P(I )(CH ) P(I )Ph (n = 2 or 4), the solid-state MAS P-{H}
3
2
2
2
n
2
2
although we have also isolated a few compounds which, as indi-
cated from solid-state magic angle spinning (MAS) P-{H}
NMR spectra are also reported. Previous workers have con-
cluded that di- and poly-phosphine dihalogen compounds are
ionic in both the solid state and in solution.
31
3
NMR results, adopt the ionic structure [R PI]I [R = (Me N)
3
3
2
3
J. Chem. Soc., Dalton Trans., 1998, Pages 2379–2382
2379