کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1335679 1500279 2013 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Comparison of hypoelectronic deltahedral ditechnetaboranes having eight to twelve vertices with their rhenium analogues: Examples of polyhedral surface metal–metal multiple bonds
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی معدنی
پیش نمایش صفحه اول مقاله
Comparison of hypoelectronic deltahedral ditechnetaboranes having eight to twelve vertices with their rhenium analogues: Examples of polyhedral surface metal–metal multiple bonds
چکیده انگلیسی

The lowest energy structures for the ditechnetaboranes Cp2Tc2Bn−2Hn−2 (n = 8, 9, 10, 11, 12) are shown by density functional theory to be flattened oblate deltahedral structures analogous to their experimentally known rhenium analogues. These ditechnetaboranes typically have Tc–Tc distances ∼0.05 Å shorter and Tc–Tc Wiberg bond indices 0.05 smaller than those in the analogous dirhenaboranes. Higher energy ditechnetaboranes are found with short Tc–Tc distances and closo or isocloso structures analogous to higher energy dirhenaboranes found in a previous theoretical study. These include 8-, 9-, 10-, and 12-vertex most spherical closo structures with formal TcTc polyhedral surface quadruple bonds as well as 10- and 11-vertex isocloso structures with formal TcTc polyhedral surface triple bonds.

The lowest energy structures for the ditechnetaboranes Cp2Tc2Bn−2Hn−2 (n = 8, 9, 10, 11, 12) are shown by density functional theory to be flattened oblate structures analogous to their experimentally known rhenium analogues. Higher energy ditechnetaboranes include 8-, 9-, 10-, and 12-vertex most spherical closo structures with formal TcTc quadruple bonds as well as 10- and 11-vertex isocloso structures with formal TcTc triple bonds.Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Polyhedron - Volume 60, 29 August 2013, Pages 151–157
نویسندگان
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