Locking water molecules <i>via</i> ternary O–H⋯O intramolecular hydrogen bonds in perhydroxylated <i>closo</i>-dodecaborate

Jiang, Yanrong; Hu, Zhubin; Zhong, Cheng; Yang, Yan; Wang, Xue-Bin; Sun, Zhenrong; Sun, Haitao; Liu, Zhi; Peng, Peng

doi:10.1039/d3cp03555g

Phys. Chem. Chem. Phys.

2023

DOI: 10.1039/d3cp03555g

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Locking water molecules via ternary O–H⋯O intramolecular hydrogen bonds in perhydroxylated closo-dodecaborate

Yanrong Jiang,

Zhubin Hu,

Cheng Zhong

et al.

Abstract: A wholescale applications around perhydroxylated closo-dodecaborate B12(OH)122− in condensed phase is inseparable from the fundamental mechanisms underlying high water orientation selectivity based on B12(OH)122− base. Herein, we directly compare the...

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2024

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Cited by 2 publications

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Gas-phase ion chemistry of [B12X12]2− (X = F, Cl, Br, I, CN). A brief review of twelve years of researching twelve−vertexed dianions and their fragments

Warneke

2024

International Journal of Mass Spectrometry

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Gas-phase ion chemistry of [B12X12]2− (X = F, Cl, Br, I, CN). A brief review of twelve years of researching twelve−vertexed dianions and their fragments

Warneke

2024

International Journal of Mass Spectrometry

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A comprehensive study on three typical photoacid generators using photoelectron spectroscopy and ab initio calculations

Jiang,

Cao,

et al. 2024

The Journal of Chemical Physics

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Conducting a comprehensive molecular-level evaluation of a photoacid generator (PAG) and its subsequent impact on lithography performance can facilitate the rational design of a promising 193 nm photoresist tailored to specific requirements. In this study, we integrated spectroscopy and computational techniques to meticulously investigate the pivotal factors of three prototypical PAG anions, p-toluenesulfonate (pTS−), 2-(trifluoromethyl)benzene-1-sulfonate (TFMBS−), and triflate (TF−), in the lithography process. Our findings reveal a significant redshift in the absorption spectra caused by specific PAG anions, attributed to their involvement in electronic transition processes, thereby enhancing the transparency of the standard PAG cation, triphenylsulfonium (TPS+), particularly at ∼193 nm. Furthermore, the electronic stability of PAG anions can be enhanced by solvent effects with varying degrees of strength. We observed the lowest vertical detachment energy of 6.6 eV of pTS− in PGMEA solution based on the polarizable continuum model, which prevents anion loss at 193 nm lithography. In addition, our findings indicate gas-phase proton affinity values of 316.4 kcal/mol for pTS−, 308.1 kcal/mol for TFMBS−, and 303.2 kcal/mol for TF−, which suggest the increasing acidity strength, yet even the weakest acid pTS− is still stronger than strong acid HBr. The photolysis of TPS+-based PAG, TPS+·pTS−, generated an excited state leading to homolysis bond cleavage with the lowest reaction energy of 83 kcal/mol. Overall, the PAG anion pTS− displayed moderate acidity, possessed the lowest photolysis reaction energy, and demonstrated an appropriate redshift. These properties collectively render it a promising candidate for an effective acid producer.

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Locking water molecules via ternary O–H⋯O intramolecular hydrogen bonds in perhydroxylated closo-dodecaborate

Abstract: A wholescale applications around perhydroxylated closo-dodecaborate B12(OH)122− in condensed phase is inseparable from the fundamental mechanisms underlying high water orientation selectivity based on B12(OH)122− base. Herein, we directly compare the...

Cited by 2 publications

References 73 publications

Gas-phase ion chemistry of [B12X12]2− (X = F, Cl, Br, I, CN). A brief review of twelve years of researching twelve−vertexed dianions and their fragments

Gas-phase ion chemistry of [B12X12]2− (X = F, Cl, Br, I, CN). A brief review of twelve years of researching twelve−vertexed dianions and their fragments

A comprehensive study on three typical photoacid generators using photoelectron spectroscopy and ab initio calculations

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