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[ACS Symposium Series] Raman Spectroscopy in the Undergraduate Curriculum Volume 1305 || Connecting Organic and Physical Chemistry Students with Raman Spectroscopy
摘要： The profile of Raman spectroscopy may be elevated in the undergraduate chemistry curriculum by intentionally tying together students’ experiences in the organic and physical chemistry laboratories. In this way the valuable role Raman spectroscopy can play in structure elucidation is highlighted. The Committee on Professional Training of the American Chemical Society includes the category of optical molecular spectroscopy (e.g., IR, UV-Vis, Raman, and fluorescence spectroscopies) as an option in the panel of instruments required for certification. To the authors’ knowledge there are no Raman spectroscopy experiments that build directly on the analysis of compounds synthesized by students in a prior course for the intended purpose of scaffolding the curriculum. This chapter highlights the roles Raman spectroscopy may play in the determination of molecular structure when used in conjunction with other, more common techniques. Indeed, direct comparison to infrared spectroscopy holds the potential to reinforce that technique and its applications while introducing the study of Raman spectra. A set of three reaction products from electrophilic aromatic substitution, Diels-Alder, and aldol condensation (this including site-specific deuteration) is explored. All of these reactions are currently part of the organic chemistry curriculum. By combining analyses performed in organic chemistry with new laboratories written for the physical chemistry laboratory the authors hope to impress upon undergraduates the value of Raman spectroscopy in a context that builds on their previous experiences with other molecular spectroscopy methods.
关键词： structure elucidation,undergraduate chemistry curriculum,electrophilic aromatic substitution,Diels-Alder reaction,Raman spectroscopy,infrared spectroscopy,deuteration,physical chemistry,aldol condensation,organic chemistry
更新于2025-09-04 15:30:14
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Condensate characteristics of bosons in a tilted optical lattice
摘要： In this work we study the properties of interacting bosons in a tilted triple well optical lattice potential. A tilted optical lattice is possible to create in an experiment with charged bosons in presence of an electric field. The ground state energy, occupation densities in each well and first order correlation function of occupation densities as a function of the tilt parameter for N = 90 bosons using recently developed Multiconfigurational time-dependent Hartree method for bosons (MCTDHB) are studied. The ground state energy falls off with the tilt parameter for a given value of the barrier height and interparticle interaction. Also the tilt parameter is observed to restrict the fragmentation of the occupation densities in each well and thus promote condensation. Further the correlation between the bosons in different wells enhances with the tilt parameter and at large values the bosons in the first and the third wells are correlated apart from the correlation among the bosons in the same well, while the occupancy in the middle one seems to be uncorrelated with the other two. Such correlation between different wells is not observed in absence of the tilt effect for the same barrier height of the potential and interparticle interaction strength.
关键词： MCTDHB,fragmentation,condensation,optical lattice,bosons
更新于2025-09-04 15:30:14
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Scalable Synthesis of Naphthothiophene and Benzodithiophene Scaffolds as π-Conjugated Synthons for Organic Materials
摘要： The synthesis on a gram-scale and the full characterization of naphtho[1,2-b]thiophene and benzo[1,2-b:6,5-b']dithiophene 4-carboxylate esters bearing 2-octyldodecyl side chains, and their stannylated and brominated derivatives, suitable for their insertion into π-conjugated polymers is described. The fully soluble and processable synthons are obtained through a cascade sequence of reactions, namely direct arylation and cross aldol condensation, which create an effective pathway for the annulation and π-extension of suitable, commercially available reagents. The newly reported synthesis are compared, whenever possible, using ‘green chemistry metrics’ with literature synthesis, showing dramatic improvements.
关键词： cross aldol condensation,annulation,heterocycles,organic materials,direct arylation
更新于2025-09-04 15:30:14