Vibrationally resolved valence and core photoionization and photoexcitation spectra of an electron-deficient trivalent boron compound: the case of catecholborane

• DOI: 10.1039/d0cp04822d
• Publication Date: 2020-10-27T09:23:56Z
• Authors: Ivan Ljubić; Marko T. Cvitaš; Cesare Grazioli; Marcello Coreno; Saša Kazazić; Igor Novak
• Keywords: boron compound; spectroscopy; photoexcitation; catecholborane; VUV-PES spectra ; XPS spectra ; NEXAFS spectra ; Vibrationally Resolved Spectra ; DFT ; TDDFT ; Trivalent Boron ; Catecholborane; Vibrations; photoionization; DFT; 7. Clean energy; 01 natural sciences; 0104 chemical sciences

Vibrationally resolved valence (VUV-PES) and B 1s, C 1s, and O 1s core ionization (XPS), and core excitation (NEXAFS) spectra of catecholborane are assigned with the aid of quantum chemical methods.