Douglas F. McIntosh

Direct synthesis using copper vapour: A route to novel binary ethylene complexes of zerovalent copper, (C2 H4)nCu (where n = 1, 2 OR 3)

Abstract The cocondensation reaction of Cu atoms with pure C 2 H 4 and C 2 H 4 /Ar mixtures at 10 K is shown by matrix infrared spectroscopy to lead to the first well-characterized examples of binary zerovalent copper — ethylene complexes, (C 2 H 4 ) n Cu (where n = 1, 2 or 3).

Structure and bonding of H3CCuH

Abstract The reaction CH 4 + Cu( 2 P) → H 3 CCuH → H 3 C-CU + H and H 3 C + CuH has been subjected to ab initio SCF calculations within the RHF formalism using a split valence shell gaussian basis set. The three electronic states ( 2 A 1 m 2 E and 2 E) of H 3 CCuH studied had C 3V symmetry. The molecular structure and computed properties of the H 3 CCuH ground state ( 2 A 1 ) suggested that this molecule can be considered as a methyl radical attached to a closed-shell CuH. The results also indicate that the formation of H 3 CCuH may occur through either an insertion or via an abstraction mechanism, nevertheless, the insertion mechanism appears to be the most favoured.

Defining the stoicheiometry of a subcarbonylmetal guest using mixed vibrational isotope labelling techniques

The tricarbonyl stoicheiometry, structure, and anchoring site geometry of M(CO)3–M*56Y which are cleanly generated via the mild vacuum thermal decarbonylation of M(CO)6–M*56Y (where M = Cr, Mo, or W; M*= Li, Na, K, Rb, or Cs; Y = dehydrated zeolite Y), have been unequivocally established for the first time from analysis of their M(12CO)n(13CO)3-n–M*56Y vibrational isotope patterns.