Molecular Orbital Tuning of Pentacene-Based Organic Semiconductors through N-Ethynylation of Dihydrodiazapentacene DOI Creative Commons
Li Zhang, Yujie Zhao, Jiasheng Li

и другие.

Journal of the American Chemical Society, Год журнала: 2025, Номер unknown

Опубликована: Янв. 21, 2025

This study explores the concept of molecular orbital tuning for organic semiconductors through use N,N'-diethynylated derivatives 6,13-dihydro-6,13-diazapentacene (2a and 2b). These novel molecules maintain same geometry π-π stacking as their parent pentacene (1a 1b), confirmed by X-ray crystallography. However, they exhibit altered frontier orbitals in terms phase, nodal properties, energy levels. Theoretical calculations based on crystal structures indicate that 2a 2b could significantly enhance hole mobilities compounds improving transfer integral. Organic field-effect transistors (OFETs) 1a were fabricated using dip-coating bar-coating methods. Both types devices demonstrated a mobility exceeding 1 cm2 V-1 s-1, more than twice respective 1a. Additionally, unlike its parent, is transparent to visible light exhibits enhanced environmental stability against air, making it promising candidate broader applications electronic devices.

Язык: Английский

Molecular Orbital Tuning of Pentacene-Based Organic Semiconductors through N-Ethynylation of Dihydrodiazapentacene DOI Creative Commons
Li Zhang, Yujie Zhao, Jiasheng Li

и другие.

Journal of the American Chemical Society, Год журнала: 2025, Номер unknown

Опубликована: Янв. 21, 2025

This study explores the concept of molecular orbital tuning for organic semiconductors through use N,N'-diethynylated derivatives 6,13-dihydro-6,13-diazapentacene (2a and 2b). These novel molecules maintain same geometry π-π stacking as their parent pentacene (1a 1b), confirmed by X-ray crystallography. However, they exhibit altered frontier orbitals in terms phase, nodal properties, energy levels. Theoretical calculations based on crystal structures indicate that 2a 2b could significantly enhance hole mobilities compounds improving transfer integral. Organic field-effect transistors (OFETs) 1a were fabricated using dip-coating bar-coating methods. Both types devices demonstrated a mobility exceeding 1 cm2 V-1 s-1, more than twice respective 1a. Additionally, unlike its parent, is transparent to visible light exhibits enhanced environmental stability against air, making it promising candidate broader applications electronic devices.

Язык: Английский

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