The molecular structure of H2C(SnPh2OMe)2·MeOH comprises two crystallographically independent tin atoms, Sn(1) and Sn(2), which are linked by the C(4) carbon atom of the methylene group, and the O(3) oxygen atom of the bridging methoxy group, giving rise to the formation of a four...
Molecular orbital studies (Extended Hückel and MNDO) have been carried out on models for the title compounds (1-4, L2M = H2Al, H2B, H2C+, (NH3)HBe, (NH3)2Li, Cp2Zr, Cp2Ti; R = H). When M = Al, Be, or Li the involvement of the π MOs of the bridging acetylene in M-...
(1) σC-Hax →π*CY and πCY →σ*C-Hax (Y = O, S, or CH2) hyperconjugation leads to a shortening (strengthening) of the equatorial C−H bonds adjacent to the π group. This effect is reflected in smaller 1JC-Hax coupling constants relative to 1JC-Heq. (2) Comparison of the...
The carbon layer is identified by the appearance of C=O, C=C, O-H, and C-OH modes of vibration peaks at 1689, 1914, 3110–3670, and 1410 cm−1, respectively. This indicates the presence of a large number of residual hydroxyl groups and inter- molecular hydrogen bonds, which ...
(−)-camphor enolates at the Cγ atom of allenylidene complex [Ru( C C CPh2)(η5-C9H7)(PPh3)2][PF6] (1) does not proceed in a diastereoselective manner affording the σ-alkynyl derivatives [Ru{C CCPh2(C10H15O)}(η5-C9H7)(PPh3)2] (2) as a 3:2 mixture of two ...
Reaction of the carbamoyl complex [C(NMe2)3][(CO)4FeC(O)NMe2] (1) with silver salts gives the dinuclear μ-carbamoyl complex [(CO)3Fe(μ-Me2NCO)2Fe(CO)2(HN... W Petz,B Neumüller,M Esser - 《Zeitschrift Für Anorganische Chemie》 被引量: 11发表: 2003年 Syntheses and Cryst...
H-B interaction, whereas 2 features a central [NiS4H2] core in a distorted octahedral coordination geometry and exhibits relatively strong Ni... H-B interactions. These results indicate that the ligand can act in the bidentate (O-S,S) or tridentate (k(3)-S, S,BH) mode. The ...
(Fig.8). The carbon layer is identified by the appearance of C=O, C=C, O-H, and C-OH modes of vibration peaks at 1689, 1914, 3110–3670, and 1410 cm−1, respectively. This indicates the presence of a large number of residual hydroxyl groups and intermolecular hydrogen bonds, ...
Density functional theory (DFT) calculations were performed to optimize the geometry of the novel compound and its homologous compound (C6H18N2)2[H2P2Mo5O23]·H2O (POM 1), in order to evaluate HOMO–LUMO energy parameters, molecular electrostatic potential (MEP) and non linear optical (NLO)...