1
Supporting information for:
Intramolecular Hydrogen Bonding Stabilizes the Nuclearity of
Complexes. A comparative study based on the H-carborane and Me-
carborane framework.
Mònica Fontanet,
[a]
Montserrat Rodríguez,
[a]
Xavier Fontrodona,
[a]
Isabel Romero,*
[a]
Clara
Viñas,
[b]
and Francesc Teixidor,*
, [b]
a
Departament de Química and Serveis Tècnics de Recerca, Universitat de Girona, Campus de
Montilivi, E-17071 Girona, Spain.
b
Institut de Ciencia de Materials de Barcelona, ICMAB-CSIC,
Campus UAB, E-08193 Bellaterra, Spain.
Table S1. Crystal Data for X-ray structures of 1-5.
Table S2. Crystal Data for X-ray structures of 2’and 4’.
Table S3. Selected bond lengths (Å) and angles (°) for complexes 2’ and 4’.
Table S4. Comparison of the structural parameters in Cu(II) dinuclear paddle-wheel and Cu(II)
mononuclear carboranylcarboxylate complexes of the ligands 1-CO
2
H-2-H-1,2-closo-C
2
B
10
H
10
and 1-
CO
2
H-2-CH
3
-1,2-closo-C
2
B
10
H
10
.
Table S5. Selected hydrogen bonding distances (Å) for complexes 1- 5.
Figure S1. Cyclic voltammetry recorded for complexes 2-5 in acetonitrile
Figure S2. DPV images for complexes 3-5 at potential range from -0.6 to -0.1 in acetonitrile (0.1 M
TBAH) with pulse amplitude of 0.05 V, pulse width of 0.05 s, sampling width of 0.02 s and pulse
period of 0.5 s.
Figure S3. NMR spectra of the compounds 1, 2/2’, 3, 4/4’, 5 and LH. The deconvolution of the
11
B
NMR spectrum of compound 1 is also reported.
Figure S4. Comparison of a)
1
H-NMR, b)
1
H{
11
B}-NMR of compound 3 in chloroform at 298K
(purple) and in acetone at 260K (black).
Electronic Supplementary Material (ESI) for Dalton Transactions.
This journal is © The Royal Society of Chemistry 2015