Abstract
Pure rotational spectra of the 37ClZnCH3, ClZnCD3, and ClZn13CH3 isotopologues of monomeric ClZnCH3 (X̃1A1) have been recorded using millimeter-wave direct absorption techniques in the frequency range 263–303 GHz. These species were synthesized in the gas phase in a DC discharge by the reaction of zinc vapor, produced in a Broida-type oven, with 37ClCH3 (in natural chlorine abundance), ClCD3, or Cl13CH3. Five to eight rotational transitions J + 1 ← J consisting of K ladder structure were measured for each isotopologue, identifying all three species as prolate symmetric tops. The data for each isotopologue were analyzed with a symmetric top Hamiltonian and rotational and centrifugal constants determined. In combination with previous measurements of Cl64ZnCH3, Cl66ZnCH3, and Cl68ZnCH3, an rm(2) structure was determined for this organozinc compound. The bond lengths in ClZnCH3 were calculated to be rCl-Zn = 2.0831(1) Å, rZn-C = 1.9085(1) Å, and rC-H = 1.1806(5) Å, considerably different from those established from crystal structures of related species ClZnCH2CH3 and ClZnEtTMEDA. The HCH bond angle was found to be 110.5° – slightly larger than that in methane. These data serve to benchmark future structure calculations of organozinc compounds, which are widely used in organic synthesis.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
