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Mechanistic Investigation Of C—C Bond Activation Of Phosphaalkynes With Pt(0) Complexes, Roberto M. Escobar, Abdurrahman C. Ateşin, Christian Müller, William D. Jones, Tülay Ateşin Mar 2024

Mechanistic Investigation Of C—C Bond Activation Of Phosphaalkynes With Pt(0) Complexes, Roberto M. Escobar, Abdurrahman C. Ateşin, Christian Müller, William D. Jones, Tülay Ateşin

Research Symposium

Carbon–carbon (C–C) bond activation has gained increased attention as a direct method for the synthesis of pharmaceuticals. Due to the thermodynamic stability and kinetic inaccessibility of the C–C bonds, however, activation of C–C bonds by homogeneous transition-metal catalysts under mild homogeneous conditions is still a challenge. Most of the systems in which the activation occurs either have aromatization or relief of ring strain as the primary driving force. The activation of unstrained C–C bonds of phosphaalkynes does not have this advantage. This study employs Density Functional Theory (DFT) calculations to elucidate Pt(0)-mediated C–CP bond activation mechanisms in phosphaalkynes. Investigating the …


Topic Modeling And Cultural Nature Of Citations, Marie Coraline Dumaz Jan 2021

Topic Modeling And Cultural Nature Of Citations, Marie Coraline Dumaz

Graduate Theses, Dissertations, and Problem Reports

Ever since the beginning of research journals, the number of academic publications has been increasing steadily. Nowadays, especially, with the new importance of online open-access journals and databases, research papers are more easily available to read and share. It also becomes harder to keep up with novelties and grasp an idea of the general impact of a given researcher, institution, journal, or field. For this reason, different bibliometric indicators are now routinely used to classify and evaluate the impact or significance of individual researchers, conferences, journals, or entire scientific communities. In this thesis, we provide tools to study trends in …