Confirmation of the coexistence of two tautomers of 2-mercaptothiazoline on the Ge(100) surface

Park, Youngchan; Yang, Sena; Lee, Myungjin; Lim, Heeseon; Kim, Yaewon; Kim, Sehun; Lee, Hangil

doi:10.1039/c3cp52760c

Cited by 5 publications

(4 citation statements)

References 39 publications

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“…We observed a double peak corresponding to S 2 p 3/2 (162.0 eV) and 2 p 1/2 (163.2 eV), separated by a spin‐orbit splitting of 1.2 eV (Figure 2a), where the S 2 p 3/2 peak is commonly used to analyze the S 2 p spectrum. The previous studies have reported that S 2 p 3/2 signals observed in the range 161.7–162.0 eV on the Ge(100) surface have been attributed to the S−H dissociated structures because a sulfur atom exists as neutral [12,17,25,26] . Therefore, based on prior results, we propose that 1‐propanethiol is adsorbed on the Ge(100) surface through S−H dissociation.…”

Section: Resultsmentioning

confidence: 56%

“…The previous studies have reported that S 2p 3/2 signals observed in the range 161.7-162.0 eV on the Ge(100) surface have been attributed to the SÀ H dissociated structures because a sulfur atom exists as neutral. [12,17,25,26] Therefore, based on prior results, we propose that 1-propanethiol is adsorbed on the Ge(100) surface through SÀ H dissociation. In the C 1s spectrum (Figure 2d), a single peak at 284.6 eV was observed.…”

Section: Resultsmentioning

confidence: 82%

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Reaction Behaviors of S‐, O‐, and N‐containing Aliphatic Molecules with a Propyl Moiety on Ge(100) Surface

et al. 2021

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The reaction pathways of 1-propanethiol, 1-propanol, and propylamine molecules, containing a propyl moiety, on a Ge(100) surface were investigated using high-resolution photoemission spectroscopy (HRPES) experiments and density functional theory (DFT) calculations. Upon analysis of the HRPES data, the adsorption of 1-propanethiol and 1-propanol was found to occur through a dissociation reaction, whereas that of propylamine took place via N dative bonding at room temper-ature. On the basis of our DFT results, adsorption geometries and transition states for each of these molecules on the Ge(100) surface were confirmed. Systematic studies of S-, O-, and Ncontaining molecules, composed of an identical propyl moiety, on the Ge(100) surface provide insight into the adsorption mechanism of aliphatic molecules containing alkyl chains on the Ge(100) surface.

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Section: Resultsmentioning

confidence: 56%

Section: Resultsmentioning

confidence: 82%

Reaction Behaviors of S‐, O‐, and N‐containing Aliphatic Molecules with a Propyl Moiety on Ge(100) Surface

et al. 2021

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“…2-Mercaptothiazoline (2-MT) is a heterocyclic organic compound with two tautomeric forms including a thione form (1,3-thiazolidine-2-thione) and a thiol form (2-thiazoline-2-thiol) [10] (Scheme 1), and 1,3-thiazolidine-2-thione is the predominant form in aqueous solution [11]. Due to its electron donor properties derived from –(NH)–(C=S)– group, 2-MT has been widely used in many fields [12].…”

Section: Introductionmentioning

confidence: 99%

Molecular Insights into the Potential Toxicological Interaction of 2-Mercaptothiazoline with the Antioxidant Enzyme—Catalase

Huang

et al. 2016

IJMS

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2-mercaptothiazoline (2-MT) is widely used in many industrial fields, but its residue is potentially harmful to the environment. In this study, to evaluate the biological toxicity of 2-MT at protein level, the interaction between 2-MT and the pivotal antioxidant enzyme—catalase (CAT) was investigated using multiple spectroscopic techniques and molecular modeling. The results indicated that the CAT fluorescence quenching caused by 2-MT should be dominated by a static quenching mechanism through formation of a 2-MT/CAT complex. Furthermore, the identifications of the binding constant, binding forces, and the number of binding sites demonstrated that 2-MT could spontaneously interact with CAT at one binding site mainly via Van der Waals’ forces and hydrogen bonding. Based on the molecular docking simulation and conformation dynamic characterization, it was found that 2-MT could bind into the junctional region of CAT subdomains and that the binding site was close to enzyme active sites, which induced secondary structural and micro-environmental changes in CAT. The experiments on 2-MT toxicity verified that 2-MT significantly inhibited CAT activity via its molecular interaction, where 2-MT concentration and exposure time both affected the inhibitory action. Therefore, the present investigation provides useful information for understanding the toxicological mechanism of 2-MT at the molecular level.

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“…Research on sulfur‐containing molecules adsorbed on the Ge(100) surface and their relevancy has revealed that thiol (SH) groups are useful in photo‐induced detectors because their reactions may be induced by photoexcitation with light of 510 nm . Owing to this characteristic, applications on the Ge(100) surface have been developed by many groups .…”

Section: Introductionmentioning

confidence: 99%

The Electronic and Adsorption Structures of 2‐Mercaptoethanol and Thioglycolic Acid on the Ge(100) Surface

Lee

2015

Bulletin Korean Chem Soc

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The adsorption selectivity of 2-mercaptoethanol (2-ME) and thioglycolic acid (TGA) was studied on the Ge(100)-2×1 surface using high-resolution photoemission spectroscopy (HRPES) and the corresponding density functional theory (DFT) calculations. HRPES analysis results indicated that an O H dissociated S H dissociation bonded structure at low coverage and an O-dative bonded structure at high coverage are the stable adsorption structures of 2-ME on the Ge(100) surface. In addition, a S H dissociated O B -dative bonded structure at low coverage and a S-dative bonded structure at high coverage are reasonable adsorption structures of TGA on the Ge(100) surface. Through work function measurements, we also confirmed that the forms of the adsorption structures of 2-ME and TGA can be determined by n-type (dissociation-bonded structure) and p-type (dative-bonded structure) properties. Moreover, the adsorption structures of 2-ME and TGA on the Ge(100)-2×1 surface were determined through DFT calculations, and the respective stable adsorption structures, transition-state energy, and reaction pathways were obtained.

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Confirmation of the coexistence of two tautomers of 2-mercaptothiazoline on the Ge(100) surface

Cited by 5 publications

References 39 publications

Reaction Behaviors of S‐, O‐, and N‐containing Aliphatic Molecules with a Propyl Moiety on Ge(100) Surface

Reaction Behaviors of S‐, O‐, and N‐containing Aliphatic Molecules with a Propyl Moiety on Ge(100) Surface

Molecular Insights into the Potential Toxicological Interaction of 2-Mercaptothiazoline with the Antioxidant Enzyme—Catalase

The Electronic and Adsorption Structures of 2‐Mercaptoethanol and Thioglycolic Acid on the Ge(100) Surface

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