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Solvent Influences on the Structure, Thermochemical Parameters, and Electronic Properties in a Carbyne Complex Catalyst: OsCl3(=CCH2CMe3)(PH3)2 | ||
Journal of Applied Chemical Research | ||
مقاله 4، دوره 12، شماره 1، فروردین 2018، صفحه 42-47 اصل مقاله (554.75 K) | ||
نوع مقاله: Research Paper | ||
نویسندگان | ||
Mostafa Khademi Shamami1؛ Maryam Daghighi Asli* 1؛ Reza Ghiasi* 2 | ||
1Department of Chemistry, Central Tehran Branch, Tehran, Islamic Azad University, Iran | ||
2Department of Chemistry, East Tehran Branch, Tehran, Islamic Azad University, Iran | ||
چکیده | ||
In this study, the carbyne complex, OsCl3(=CCH2CMe3)(PH3)2, structural, themochemical and electronic properties were studied in solution and gas phases. For this investigation, the chosen solvents were five solvents (methanol, acetone, ethanol, DMSO, nitromethane) with various polarities. The influence of solvent polarity on the thermodynamic, structural, solvation energy parameters and frontier orbital energies of the complex were carried out. This study is helpful opportunity for more understanding the osmium carbyne complexes chemistry, particularly in the area of catalytic and reactivity properties of osmium carbyne complexes. | ||
کلیدواژهها | ||
Carbyne complex؛ Frontier orbitals؛ Solvent influence؛ Thermodynamic parameters | ||
آمار تعداد مشاهده مقاله: 409 تعداد دریافت فایل اصل مقاله: 307 |