Synthesis, Spectroscopic Characterization, pH Dependent Electrochemistry and Computational Studies of Piperazinic Compounds
Bibliographic record
Abstract
This work presents the synthesis, redox behavior and spectroscopic characterization of two novel compounds Sodium 4-(3-methoxyphenyl) piperazine-1-carbodithioate and sodium 4-(4-nitrophenyl) piperazine-1-carbodithioate. Pulse voltammetric techniques were utilized to determine the number of electrons involved in the oxidation and/or the reduction step and to ensure the nature of the redox processes. The pH dependent redox mechanistic pathways of the compounds were proposed on the basis of electrochemical and computational results. Different thermodynamic parameters like ΔG # and ΔH # revealed that electrode processes are non-spontaneous and endergonic in nature. Increase in ΔS # values at higher temperature indicated the randomness of the electrode reactions at higher temperatures. Limits of detection and quantification were determined by square wave voltammetry due to its high sensitivity and fast speed. Ionization energy, electron affinity, dipole moment and charge distribution on atoms were computationally determined. Acid-base dissociation constant (pKa) values of the compounds evaluated by voltammetry and electronic spectroscopy were found comparable.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".