2026-10-14T05:32:39Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33195186 2026-09-21T01:28:55Z category_25210 portal_886 item_type_3 month_year_09_2026

Supporting data for “AZULENE‑EMBEDDED NON‑ALTERNANT MOLECULAR CARBONS: SYNTHETIC STRATEGIES, STRUCTURAL EXPLORATION, AND OPEN‑SHELL PROPERTIES” Zhaohang Lin (9206519) Organic chemical synthesis organic synthetic schemes Functional materials Methods of synthesis <h4 dir="ltr">This dataset includes the details of organic synthesis, experimental characterization results, and relevant test data, which refers to the thesis of "AZULENE‑EMBEDDED NON‑ALTERNANT MOLECULAR CARBONS: SYNTHETIC STRATEGIES, STRUCTURAL EXPLORATION, AND OPEN‑SHELL PROPERTIES” from Zhaohang LIN. This thesis focuses on the facile synthesis of fully linear non-alternant hydrocarbon to establish an unprecedented structural model, alongside the exploration of stable high-spin diradicals based on non-alternant embedded frameworks. Firstly, building on the success of heptalene-azulene combining building block, Chapter 2 reports the synthesis of the non‑alternant PHs, diazuleno[2,1,8-efg:2',1',8'-kla]heptalene (DAH). Chemical characterization data, including mass spectra and NMR spectra were included for derivatives. In Chapter 3, this building block was extended to a non-alternant core for the preparation of diindeno-type diradicals. Chemical characterization data were demonstrated also with the spin testing results and calculations support. Chapter 4 explores the expansion of these modules into large non-alternant molecular carbons, detailed synthetic attempting in solution and on-surface were included. In Chapter 5, the development of an unprecedented pentalene-azulene hybrid building block were describes, pentaleno[2,1-a:5,4-a']diazulene (DAP), which was synthesized via a Pt-mediated rearrangement arylation in up to nine examples. Chemical characterization data, including mass spectra and NMR spectra with the reaction mechanism elucidated by computational studies were demonstrated.</h4><p></p> 2026-09-21T01:28:55Z Dataset Dataset 10.25442/hku.33195186.v1 https://figshare.com/articles/dataset/Supporting_data_for_AZULENE_EMBEDDED_NON_ALTERNANT_MOLECULAR_CARBONS_SYNTHETIC_STRATEGIES_STRUCTURAL_EXPLORATION_AND_OPEN_SHELL_PROPERTIES_/33195186 CC BY-NC 4.0 Open Access after 2028-08-31