Vibrational spectroscopic study of isotopic effect on TcX3+ and TcX3OH (X: O, S and Se) by DFT

Arı, Hatice; Büyükmumcu, Zeki; Özpozan, Talat

doi:10.1016/j.molstruc.2018.03.115

Cited by 3 publications

(4 citation statements)

References 37 publications

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“…The structure of solid “pertechnic acid” has been debated in the literature over the years but has generally shown the presence of both TcO 4 and TcO 6 units. , Again, this is analogous to multiple reported coordinations in solid “perrhenic acid”, as HReO 4 ·H 2 O (tetrahedral only) and Re 2 O 7 (OH 2 ) 2 (tetrahedral and octahedral) . It should be noted that solid Re 2 O 7 consists of polymerized ReO 4 and ReO 6 units, whereas Tc 2 O 7 and Mn 2 O 7 are dimeric molecular MO 4 only. , HReO 4 has been identified as an isolated gaseous molecule, and an analogous technetium species (“HTcO 4 ”) has been calculated but written as TcO 3 (OH) , to emphasize the TcO 3 + unit; both Re and Tc here are tetrahedrally coordinated.…”

Section: Discussionmentioning

confidence: 97%

“…35 It should be noted that solid Re 2 O 7 consists of polymerized ReO 4 and ReO 6 units, 36 whereas Tc 2 O 7 and Mn 2 O 7 are dimeric molecular MO 4 only. 37,38 HReO 4 has been identified as an isolated gaseous molecule, 39 and an analogous technetium species ("HTcO 4 ") has been calculated but written as TcO 3 (OH) 40,41 to emphasize the TcO 3 + unit; both Re and Tc here are tetrahedrally coordinated.…”

Section: Inorganic Chemistrymentioning

confidence: 99%

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Properties of Pertechnic Acid

et al. 2019

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Dilute aqueous pertechnic acid has long been known as strong monoprotic acid that behaves as a simple pertechnetate ion in aqueous solution. As pertechnic acid concentrates by evaporation, it becomes yellow and then dark red, and dark-red crystalline material may ultimately be obtained. We show that as pertechnic acid concentrates, at least three compounds are formed: a yellow viscous liquid, a colorless (not red) crystalline solid, and a small amount of an intensely colored red–purple compound. The colorless crystalline compound melts at 118 °C and can be melted and recrystallized several times with little decomposition. The red–purple compound is apparently not stable at room temperature and quickly decomposes if it is isolated. UV–vis spectra show that Beer’s law does not hold as pertechnic acid concentrates by evaporation. We report densities, 99Tc nuclear magnetic resonance spectra, and ultraviolet–visible absorption spectra for highly pure aqueous pertechnic acid (accompanied by the other technetium compounds that form) ranging from 1 to 14 M in technetium concentration.

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Section: Discussionmentioning

confidence: 97%

Section: Inorganic Chemistrymentioning

confidence: 99%

Properties of Pertechnic Acid

et al. 2019

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“…Therefore, hydroxyls, carboxylate groups in K-GNSs were formation the graphene have been successfully to K-GNSs. The peak observed at 1618 cm -1 is associated with the (C=O) bond shifted to 1636 cm -1 (amido-functionalized of graphene) [26]. The existence of vibration modes corresponding to (C-N) at 1287 cm -1 , (N-H) at 1507 and 3421 cm -1 indicate the formation of the amine bond [28].…”

Section: Ftir Analysismentioning

confidence: 99%

“…Peak of 1574 cm -1 can be attributed aromatic structures [25]. The FTIR spectra of the SDBS treated graphene (SDBS-GNSs, SDBS-AGNSs and SDBS-KGNSs) showed peaks at 2924 cm -1 , which apparently correspond to the symmetrical stretching of (CH 2 ), at 1378 cm -1 due to the asymmetrical vibration of (CH 3 ) two peaks at 1181 cm -1 and 1236 cm -1 due to the asymmetrical vibration of (S-O) and (S=O) respectively [26]. These peaks indicate successful adhesive of SDBS on graphene.…”

Section: Ftir Analysismentioning

confidence: 99%

Modification of graphene for speciation of chromium in wastewater samples by suspension solid phase microextraction procedure

ghozatlu¹

2019

Anal. Method Environ. Chem. J.

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In this study, the surface modification of graphene (SMG) was developed for efficient speciation and determination of chromium in water and wastewater samples. By procedure, the chromium ions were extracted from water/wastewater samples based on sulfonated and amine graphene (S-NG, N-NG) by suspension solid-phase microextraction procedure (SMSPE). Hydrophobic ionic liquid ([HMIM] [PF6]) was used for separation graphene from 10 mL of water. After shaking and centrifuging, the phase of Cr→ S-NG, Cr→N-NG was back-extracted by 0.2 mL of HNO3 (0.4 mol L-1) and finally chromium concentration determined with ET-AAS. The results showed the sulfonated and amine graphene can successfully extract Cr(III) and Cr(VI) from water and wastewater samples at pH=3.5-5.5 and pH<3, respectively. Also, the most Cr(VI) extracted by N-graphene at pH=2(NH3+→Cr2O7─). Under the optimal conditions, the linear range, LOD, and preconcentration factor were obtained 0.02–2.4 µg L−1, 5.0 ng L−1 and 20.2, respectively for Cr(III, VI) (%RSD<5%).

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Electronic stability of bimetallic Au2@Cu6 nanocluster: Closed-shell interaction and multicenter bonding

Cheng

2020

Chinese Journal of Chemical Physics

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Metallophilic interaction is a unique type of weak intermolecular interaction, where the electronic configuration of two metal atoms is closed shell. Despite its significance in multidisciplinary fields, the nature of metallophilic interaction is still not well understood. In this work, we investigated the electronic structures and bonding characteristic of bimetallic Au2@Cu6 nanocluster through density functional theory method, which was reported in experiments recently [Angew. Chem. Int. Ed. 55, 3611 (2016)]. In general thinking, interaction between two moieties of (CuSH)6 ring and (Au2PH3)2 in the Au2@Cu6 nanocluster can be viewed as a d10-σ closed-shell interaction. However, chemical bonding analysis shows that there is a ten center-two electron (10c-2e) multicenter bonding between two moieties. Further comparative studies on other bimetallic nanocluster M2@Cu6 (M=Ag, Cu, Zn, Cd, Hg) also revealed that multicenter bonding is the origin of electronic stability of the complexes besides the d10-σ closed-shell interaction. This will provide valuable insights into the understanding of closed-shell interactions.

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Vibrational spectroscopic study of isotopic effect on TcX3+ and TcX3OH (X: O, S and Se) by DFT

Cited by 3 publications

References 37 publications

Properties of Pertechnic Acid

Properties of Pertechnic Acid

Modification of graphene for speciation of chromium in wastewater samples by suspension solid phase microextraction procedure

Electronic stability of bimetallic Au2@Cu6 nanocluster: Closed-shell interaction and multicenter bonding

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