Supporting information for: "Analysis of Stability and (Anti)aromaticity of BN-Dibenzo[a,e]pentalenes"
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Table S1. Experimental and calculated bond lengths and bond angles for 1,4 isomer of BN-dibenzopentalene; Table S2. Spin densities in diradical state of 1,3 isomer of BN-dibenzopentalene obtained by Hirshfeld population analysis; Figure S1. Relative energies of six isomeric BN-dibenzopentalenes, BN-butadienes and BN-pentalenes; Figure S2. NICS-XY scans. Section S1: Comparison of (anti)aromaticity of various isomers of BN-dibenzopentalenes. Absolute energies and X, Y, Z coordinates of optimized structures.
Keywords:
Boron / Density functional calculations / Electronic structure / Fused-ring systems / NitrogenSource:
European Journal of Organic Chemistry, 2018Publisher:
- Wiley
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- This is supplementary material for: Stojanović, M.,& Baranac-Stojanović, M. (2018). Analysis of Stability and (Anti)aromaticity of BN-Dibenzoa,epentalenes. European Journal of Organic Chemistry, Wiley 2018(45), 6230-6240. [https://doi.org/10.1002/ejoc.201801047]
- The published version of the article: https://cer.ihtm.bg.ac.rs/handle/123456789/2386
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https://doi.org/10.1002/ejoc.201801047 - Referenced by
https://cer.ihtm.bg.ac.rs/handle/123456789/2386
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IHTMTY - DATA AU - Stojanović, Milovan AU - Baranac-Stojanović, Marija PY - 2018 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/4477 AB - Table S1. Experimental and calculated bond lengths and bond angles for 1,4 isomer of BN-dibenzopentalene; Table S2. Spin densities in diradical state of 1,3 isomer of BN-dibenzopentalene obtained by Hirshfeld population analysis; Figure S1. Relative energies of six isomeric BN-dibenzopentalenes, BN-butadienes and BN-pentalenes; Figure S2. NICS-XY scans. Section S1: Comparison of (anti)aromaticity of various isomers of BN-dibenzopentalenes. Absolute energies and X, Y, Z coordinates of optimized structures. PB - Wiley T2 - European Journal of Organic Chemistry T1 - Supporting information for: "Analysis of Stability and (Anti)aromaticity of BN-Dibenzo[a,e]pentalenes" UR - https://hdl.handle.net/21.15107/rcub_cer_4477 ER -
@misc{ author = "Stojanović, Milovan and Baranac-Stojanović, Marija", year = "2018", abstract = "Table S1. Experimental and calculated bond lengths and bond angles for 1,4 isomer of BN-dibenzopentalene; Table S2. Spin densities in diradical state of 1,3 isomer of BN-dibenzopentalene obtained by Hirshfeld population analysis; Figure S1. Relative energies of six isomeric BN-dibenzopentalenes, BN-butadienes and BN-pentalenes; Figure S2. NICS-XY scans. Section S1: Comparison of (anti)aromaticity of various isomers of BN-dibenzopentalenes. Absolute energies and X, Y, Z coordinates of optimized structures.", publisher = "Wiley", journal = "European Journal of Organic Chemistry", title = "Supporting information for: "Analysis of Stability and (Anti)aromaticity of BN-Dibenzo[a,e]pentalenes"", url = "https://hdl.handle.net/21.15107/rcub_cer_4477" }
Stojanović, M.,& Baranac-Stojanović, M.. (2018). Supporting information for: "Analysis of Stability and (Anti)aromaticity of BN-Dibenzo[a,e]pentalenes". in European Journal of Organic Chemistry Wiley.. https://hdl.handle.net/21.15107/rcub_cer_4477
Stojanović M, Baranac-Stojanović M. Supporting information for: "Analysis of Stability and (Anti)aromaticity of BN-Dibenzo[a,e]pentalenes". in European Journal of Organic Chemistry. 2018;. https://hdl.handle.net/21.15107/rcub_cer_4477 .
Stojanović, Milovan, Baranac-Stojanović, Marija, "Supporting information for: "Analysis of Stability and (Anti)aromaticity of BN-Dibenzo[a,e]pentalenes"" in European Journal of Organic Chemistry (2018), https://hdl.handle.net/21.15107/rcub_cer_4477 .