77452-72-3Relevant academic research and scientific papers
Crystal Structure Correlations in the Photochemistry of Dimethyl 9-Phenyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate
Pokkuluri, Phani Raj,Scheffer, John R.,Trotter, James
, p. 754 - 760 (1993)
A study of the photochemistry of the title 9-phenyldibenzobarrelene-11,12-diester (1) reveals the formation of a semibullvalene derivative, dimethyl 8b-phenyl-4b,8b,8c,8d-tetrahydrodibenzocyclopropapentalene-8c,8d-dicarboxylate (2), in acetone solution, with an additional cyclooctatetraene (COT) photoproduct, dimethyl 5-phenyldibenzocyclooctene-6,12-dicarboxylate (3), in acetonitrile, benzene and in solid-state photolysis.Crystal data: T = 294 K, Cu Kα, λ = 1.5418 Angstroem, C26H20O4, Mr = 396.44, (1), triclinic, P1, a = 10.713 (1), b = 11.991 (1),c = 8.177 (1) Angstroem, α - 95.71 (1), β =- 105.14 (1), γ = 79.61 (1) deg, V = 995.9 (2) Angstroem3, Z = 2, Dx = 1.322 g cm-3, F(000) = 416, μ = 6.8 cm-1, R = 0.060 for 3069 reflections. (2), monoclinic, P21/n, a = 10.206 (3), b = 16.485 (1), c = 11.758 (4) Angstroem, β = 95.48 (2) deg, V = 1969.2 (8) Angstroem3, Z = 4, Dx = 1.337 g cm-3, F(000) = 832, μ = 6.9 cm-1, R = 0.039 for 2882 reflections. (3), triclinic, P1, a = 11.074 (2), b = 25.298 (6), c = 7.668 (2) Angstroem, α = 94.22 (2), β = 94.53 (2), γ = 101.77 (2) deg, V = 2087.5 (8) Angstroem3, Z = 4 (two molecules per asymmetric unit), Dx = 1.261 g cm-3, F(000) = 832, μ = 6.5 cm-1, R = 0.039 for 4668 reflections.Compound (2) has a structure consistent with formation via normal di-?-methane reaction involving the triplet excited state, while formation of (3) provides another example of unexpected behaviour of the singlet excited state.
Severe energy costs of double steric interactions: Towards a molecular clamp
Nikitin, Kirill,Fleming, Conor,Mueller-Bunz, Helge,Ortin, Yannick,McGlinchey, Michael J.
experimental part, p. 5203 - 5216 (2010/11/17)
The factors determining the ease of rotation about carboncarbon single bonds connecting two internally rigid fragments such as phenyl, indenyl, anthracenyl and triptycyl are analysed. The internal rotation barriers in these molecules have been estimated o
