Structures, Energies, and Bonding Analysis of Monoaurated Complexes with N-Heterocyclic Carbene and Analogues
In this work, we computationally investigated from quantum chemical calculations (DFT) at the BP86 level with the various basis sets def2-SVP, def2-TZVPP, and TZ2P+, chemical bonding issues of the recently described carbene-analogues gold(I) complexes AuCl-NHEMe (Au1-NHE) with E = C – Pb. The optimi...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Universiti Brunei Darussalam
2017-07-01
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| Series: | ASEAN Journal on Science and Technology for Development |
| Subjects: | |
| Online Access: | http://www.ajstd.org/index.php/ajstd/article/view/8 |