Generative artificial intelligence (GAI) is here; now what? In this commentary, we discuss the potential impacts of GAI text-based systems for the chemistry community. The recent launch of ChatGPT, a free GAI text-based system by OpenAI, has sparked concerns regarding academic integrity and student assessment across all educational levels. However, the capabilities of these systems will impact more than the teaching and learning of chemistry; GAI systems can serve students, faculty, and administrators for teaching and learning, research, and professional activities. Herein we explore various ways students and faculty might use GAI systems, identify potential benefits and risks, and consider equity and accessibility issues. We hope to inspire productive discussions on leveraging GAI technology’s capabilities while recognizing its limitations.
Establishing a linear relationship between CH–aryl interaction energies and the properties of the solvating media.
It was observed that the relative position of the arene substituents have a profound influence on the strength of π-π stacking in the 9-benzyl substituted triptycene system. A new series of model compounds (3a-i) capable of revealing quantitatively π-π stacking interactions was studied. This series of compounds (3a-i) has an ortho substituted methyl group in one of the two interacting arenes and the syn/anti ratios were determined and compared to a series previously studied compounds (4a-i) that have a para methyl group on the corresponding arene. A greater than 50% increase in the strength of π-π stacking interactions was observed with the methyl group in the ortho position comparing to that in the para position. No difference in π-π stacking interactions was observed when the other aromatic ring was a pentafluorobenzoate group.Noncovalent interactions play an increasingly important role in modern chemical research. [1][2][3] The concept of π-stacking interactions has been used in a wide ranging field of science including materials science, 4 template-directed synthesis, 5 and enzyme design. 6 Currently there is a strong interest to understand the origins and the mechanism of substituent effects in π-π stacking interactions. [7][8][9] It has been reported that a direct interaction between the aromatic ring hydrogens and the substituents themselves may influence the magnitude of arene-arene interaction. 10 Theoretical studies also corroborated this observation using benzene dimers with multiple substituents. The substituent effects were found to be nearly additive in sandwich configurations, which would not be consistent with the traditional model of aromatic substituent effects. 8 More recently, computational studies by Wheeler and Houk directly challenged the conventional concept of substituent effects. 7 Their study suggests that substituents interact directly with another aromatic ring, rather than through the polarization of the arene. According to this study, the traditional concept of π-π interactions tuned by substituents through electron withdrawing or donating to the aromatic rings is flawed and should be corrected by direct interactions between the substituents and the unsubstituted ring. In this communication, we report experimental observations which show the relative position of the arene substituents has a Correspondence to: Benjamin W. Gung. Publisher's Disclaimer: This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final citable form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. NIH Public Access NIH-PA Author ManuscriptNIH-PA Author Manuscript NIH-PA Author Manuscript strong influence on π-π stacking strength, thus suggesting a direct i...
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