Abstract
The novel triphosphonic ester 1,3,5-[P(O)( i-PrO) 2] 3C 6H 3 ( 1) was synthesized and fully characterized including single crystal X-ray diffraction analysis. Crystallization in the presence of CHCl 3 gave the corresponding solvate, 1·CHCl 3, which shows moderate C–H⋯OP hydrogen bonding. The hydrogen bond strength in 1·CHCl 3 and the model compound [P(O)( i-PrO) 2]C 6H 5·CHCl 3 ( 2·CHCl 3) were analyzed using RHF, DFT and MP2 methods. The calculated C–H⋯OP hydrogen bond strength is in the range 5–6 kcal mol −1, which is comparable with hydrogen bond strength in the water dimer but higher than in comparable C–H⋯OC aggregates.
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.
