86567-40-0Relevant articles and documents
Force-field parameterisation, synthesis and crystal structure of a novel tricarbonylchromium arene complex
Hughes, Samantha J.,Moss, John R.,Naidoo, Kevin J.,Kelly, Janet F.,Batsanov, Andrei S.
, p. 176 - 185 (2007/10/03)
We construct a force field for organochromium poly(benzyl phenyl ether) dendrimers from reported experimental data and experimental data measured by us. Potential function terms are principally optimised through the use of crystal structure data of a novel [Cr(CO)3(C6H5CH2OCH 2C6H5)Cr(CO)3] complex. We report the synthesis and the crystal structure data of the chromium complex. In addition the important benzyl ether linkage torsion angle parameter is optimized by comparison with ab initio torsional data of a model compound. With this information, a force field suitable for molecular mechanics and dynamics calculations of organochromium poly(benzyl phenyl ether) dendrimers is constructed. The force field is tested by mapping the energy surface and simulating the crystal structure of [Cr(CO)3(C6H5CH2OCH 2C6H5)Cr(CO)3].
Chiral base-mediated benzylic functionalisation of (alkyl benzyl ether)tricarbonylchromium(0) complexes
Cowton, E. Lucy M.,Gibson, Susan E.,Schneider, Michael J.,Smith, Mark H.
, p. 839 - 840 (2007/10/03)
Asymmetric functionalisation of the benzylic methylene group in tricarbonylchromium(0) complexes of alkyl benzyl ethers [(PhCH2OR)(CO)3Cr0] is achieved in high yield (86-96%) and high enantiomeric excess (ee) (97 to ≥99%)
Elaboration of α-Substituted Benzyl Ethers and Sulphides by Suppression of the Wittig and Related Rearrangements
Davies, Stephen G.,Holman, Nicholas J.,Laughton, Charles A.,Mobbs, Bryan E.
, p. 1316 - 1317 (2007/10/02)
Co-ordination of benzyl alkyl ethers and sulphides to chromium tricarbonyl allows α-substitution via the corresponding α-carbanions to be achieved by suppression of the Wittig and related rearrangements.
