2010, Kessler, M., Spannenberg, A., Rosenthal, U.

In the title complex mol-ecule, [Ti(C10H15) 2I], the paramagnetic Ti(III) atom is coordinated by two penta-methyl-cyclo-penta-dienyl (Cp*) ligands and one iodide ligand. The two Cp*ligands are in a staggered orientation. The coordination geometry at the titanium atom can be described as distorted trigonal-planar.

2010, Schulz, S., Fischer, C., Drexler, H.-J., Heller, D.

The title compound, [Rh(C8H12)(C18H 36P2)]BF4, exhibits a rhodium(I) complex cation with a bidentate bis-phosphine ligand and a bidentate 2, 2-coordinated cyclo-octa-1,5-diene ligand. The ligands form a slightly distorted square-planar coordination environment for the Rh(I) atom. An intra-molecular P-Rh-P bite angle of 83.91 (2)° is observed. The dihedral angle between the P - Rh - P and the X - Rh - X planes (X is the centroid of a double bond) is 14.0 (1)°. The BF4 anion is disordered over two positions in a 0.515 (7):0.485 (7) ratio.

2010, Gesing, T.M., Uecker, R., Zheng, W., Buhl, J.-C.

Al2.90Ca0.45O12Sm 1.59Sr2Ta1.10, tetragonal, I4 (no. 82), a = 5.4174(8) Å, c = 7.643(2) Å, V = 224.3 Å3, Z = 1, Rgt(F) = 0.039, wRref(F 2) = 0.1258 , T = 298 K. © 2014 Oldenbourg Wissenschaftsverlag, München.

2010, Klahn, M., Spannenberg, A., Rosenthal, U.

C44H78HfPSi2, tetragonal, P4 1212 (no. 92), a = 14.9634(2) Å, c = 44.9270(8) Å, V = 10059.3 Å3, Z = 8, Rgt(F) = 0.026, wRref(F2) = 0.073, T = 200 K. © by Oldenbourg Wissenschaftsverlag, München.

2019, Joksch, M., Spannenberg, A., Beweries, T.

In the crystal structure of the isostructural title compounds, namely {2,6-bis[(di-tert-butylphosphanyl)oxy]-4-hydroxyphenyl}chloridopalladium(II), [Pd(C22H39O3P2)Cl], 1, and {2,6-bis[(di-tert-butylphosphanyl)oxy]-4-hydroxyphenyl}chloridoplatinum(II), [Pt(C22H39O3P2)Cl], 2, the metal centres are coordinated in a distorted square-planar fashion by the POCOP pincer fragment and the chloride ligand. Both complexes form strong hydrogen-bonded chain structures through an interaction of the OH group in the 4-position of the aromatic POCOP backbone with the halide ligand.

2010, Kaleta, K., Arndt, P., Spannenberg, A., Rosenthal, U.

The title compound, [Zr(C5H5)2(C 4H9N)(C5H5N)], was obtained from the reaction of (C5H5)2Zr(py)(η2- Me3SiC2SiMe3) (py is pyridine) and tBuN=C=NtBu alongside the formation of (C 5H5)2Zr(CNtBu)(2-Me 3SiC2SiMe3). The zirconium atom is coordinated in a distorted tetrahedral geometry by two cyclopentadienyl ligands, a pyridine ligand, and a tertbutylimido ligand via a Zr=N double bond. The tertbutyl group is disordered over two positions in a 0.634 (5):0.366 (5) ratio.

2014, San, Long K., Bukovsky, Eric V., Larson, Bryon W., Whitaker, James B., Deng, S.H.M., Kopidakis, Nikos, Rumbles, Garry, Popov, Alexey A., Chen, Yu-Sheng, Wang, Xue-Bin, Boltalina, Olga V., Strauss, Steven H.

Reaction of C60, C6F5CF2I, and SnH(n-Bu)3 produced, among other unidentified fullerene derivatives, the two new compounds 1,9-C60(CF2C6F5)H (1) and 1,9-C60(cyclo-CF2(2-C6F4)) (2). The highest isolated yield of 1 was 35% based on C60. Depending on the reaction conditions, the relative amounts of 1 and 2 generated in situ were as high as 85% and 71%, respectively, based on HPLC peak integration and summing over all fullerene species present other than unreacted C60. Compound 1 is thermally stable in 1,2-dichlorobenzene (oDCB) at 160 °C but was rapidly converted to 2 upon addition of Sn2(n-Bu)6 at this temperature. In contrast, complete conversion of 1 to 2 occurred within minutes, or hours, at 25 °C in 90/10 (v/v) PhCN/C6D6 by addition of stoichiometric, or sub-stoichiometric, amounts of proton sponge (PS) or cobaltocene (CoCp2). DFT calculations indicate that when 1 is deprotonated, the anion C60(CF2C6F5)− can undergo facile intramolecular SNAr annulation to form 2 with concomitant loss of F−. To our knowledge this is the first observation of a fullerene-cage carbanion acting as an SNAr nucleophile towards an aromatic C–F bond. The gas-phase electron affinity (EA) of 2 was determined to be 2.805(10) eV by low-temperature PES, higher by 0.12(1) eV than the EA of C60 and higher by 0.18(1) eV than the EA of phenyl-C61-butyric acid methyl ester (PCBM). In contrast, the relative E1/2(0/−) values of 2 and C60, −0.01(1) and 0.00(1) V, respectively, are virtually the same (on this scale, and under the same conditions, the E1/2(0/−) of PCBM is −0.09 V). Time-resolved microwave conductivity charge-carrier yield × mobility values for organic photovoltaic active-layer-type blends of 2 and poly-3-hexylthiophene (P3HT) were comparable to those for equimolar blends of PCBM and P3HT. The structure of solvent-free crystals of 2 was determined by single-crystal X-ray diffraction. The number of nearest-neighbor fullerene–fullerene interactions with centroid⋯centroid (⊙⋯⊙) distances of ≤10.34 Å is significantly greater, and the average ⊙⋯⊙ distance is shorter, for 2 (10 nearest neighbors; ave. ⊙⋯⊙ distance = 10.09 Å) than for solvent-free crystals of PCBM (7 nearest neighbors; ave. ⊙⋯⊙ distance = 10.17 Å). Finally, the thermal stability of 2 was found to be far greater than that of PCBM.

2010, Peulecke, N., Peitz, S., Müller, B.H., Spannenberg, A., Rosenthal, U.

The title compound, [Cr(C27H26P2)(CO) 4]·CH2Cl2, was obtained by the reaction of Ph2PCMe2PPh2 with Cr(CO)6 in refluxing toluene by substitution of two carbonyl ligands. The CrC 4P2 coordination geometry at the Cr atom is distorted octa-hedral, with a P - Cr - P bite angle of 70.27 (2)°.

2010, Peulecke, N., Peitz, S., Müller, B.H., Spannenberg, A., Rosenthal, U.

The title compound, [Cr(C26H26P2Si)(CO) 4], was obtained by the reaction of Ph2PSiMe 2PPh2 with Cr(CO)6 in refluxing toluene by ligand exchange. The CrC4P2 coordination geometry at the Cr atom is distorted octa-hedral, with a P - Cr - P bite angle of 80.27 (1)°.

2010, Beweries, T., Spannenberg, A., Rosenthal, U.

C41H61HfN2, monoclinic, P21/n (no. 14), a = 13.4410(4) Å, b = 13.9983(6) Å, c = 21.1996(8) Å, β = 98.144(3)°, V = 3948.5 Å3, Z = 4, Rgt(F) = 0.051, wRref(F2) = 0.121,T = 200 K. © 2014 Oldenbourg Wissenschaftsverlag, München.