Abstract
The structures of two products of the Frankland reaction of dimethylzinc with nitric oxide, CH3Zn[O·N(NO)CH3] and Zn[O·N(NO)CH3]2, have been calculated using the Gaussian 03 revision B.02 programs. The more stable form of the 2:1 compound has a closed structure (II) with an energy difference of 90.7 kJ mol−1 from the open structure (I) and a barrier to conversion of 94.9 kJ mol−1. The structure of the 4:1 compound is a spiroform (III) 21.8 kJ mol−1 more stable than the planar structure, with no barrier to conversion. Some of the calculated vibrational data for structures II and III are also reported and compared with those available in the literature from previous experimental infrared and Raman measurements.
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.
