Abstract
Six conformational isomers of bis(1-isopropyl-2,3,3-trimethylindolen-2-ylidene)squaraine were studied using MM+ molecular mechanical and AM1 quantum chemical methods. The calculated energies and structures indicate that the planarity of the π system is of great importance. These results were confirmed by NMR spectroscopy. The structure of the aforementioned dye was shown to be the trans-planar isomer. The 13C-NMR spectrum of this isomer was assigned with the aid of C-atom charge density data derived from AM1 calculations.
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.
