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April 27, 2026Journal of Chemical Education0 citations

From Programming to Crystal Growth: High-Throughput Exploration of 3d–4f Cluster Synthesis Conditions–A Laboratory Experiment for First Year Undergraduates

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MQMing-Qiang QiYQYue-Bo QiJLJin-Cheng Lv

Key Points

  • The aim is to integrate modern automation and data-driven techniques into undergraduate chemistry education by exploring synthesis conditions of cluster compounds.
  • Developed a programmable automated liquid workstation for exploration of 25 synthesis conditions.
  • First-year undergraduates participated in a hands-on experiment involving programming, hardware assembly, and experimental design.
  • Characterization of phase-pure cluster crystals was conducted using optical microscopy, X-ray diffraction, and mass spectrometry.
  • Most groups successfully obtained phase-pure cluster crystals during the experiment.
  • Enhanced programming self-efficacy and interdisciplinary problem-solving skills were observed among students.
  • The integration of code and hardware debugging improved diagnostic reasoning and system-level thinking.

Abstract

Modern chemical research increasingly relies on automation, high-throughput experimentation, and data-driven decision-making, yet undergraduate laboratory curricula rarely provide structured opportunities for students to develop these foundational competencies for AI-era chemical research. To bridge this gap, we developed an inquiry-based experiment in which first-year undergraduates assemble a low-cost, programmable automated liquid workstation and use it to explore 25 different synthesis conditions for a 3d–4f cluster, La3Ni6(IDA)6(OH)6(H2O)12(NO3)3·15H2O (where IDA = iminodiacetate). This process, which requires meticulous optimization of stoichiometry and pH, is traditionally time-consuming and prone to human error. In contrast, by engaging in the complete workflow of a modern intelligent laboratory, encompassing programming, hardware assembly, experimental design, and characterization, students in this experiment can rapidly explore 25 synthesis conditions. Consequently, most groups successfully obtained phase-pure cluster crystals and characterized them by using optical microscopy, single-crystal X-ray diffraction, and electrospray ionization mass spectrometry within a single laboratory session. A distinctive feature of the activity is the deliberate integration of code and hardware debugging as a learning outcome. This focus cultivates the diagnostic reasoning and system-level thinking essential for operating automated platforms and demonstrably enhances students’ programming self-efficacy and interdisciplinary problem-solving skills. Furthermore, this provides a tangible understanding of how automation transforms research. As one of the few reports in chemical education to systematically integrate AI-assisted cluster synthesis and characterization into a first-year laboratory, this work offers a timely and scalable model for modernizing introductory curricula.

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Cite This Study

Qi et al. (2026) studied this question.

synapsesocial.com/papers/69eefc6dfede9185760d369ahttps://doi.org/10.1021/acs.jchemed.5c01768
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