A new oxorhenium(V) complex with benzothiazole derived ligand: Relative stability and global chemical reactivity indices
详细信息 查看全文
- 作者：Arnab Bhattacharyaa ; Jnan Prakash Naskarb ; Pinki Sahaa ; Rakesh Gangulyc ; Baptu Sahaa ; Swagata Tarat Choudhuryd ; Shubhamoy Chowdhurya ; shubha103@yahoo.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Oxorhenium(V) complex ; X-ray crystal structure ; DFT and TD-DFT calculations ; Global chemical reactivity indices ; Ligand substitution energy
- 刊名：Inorganica Chimica Acta
- 出版年：2016
- 出版时间：1 June 2016
- 年：2016
- 卷：447
- 期：Complete
- 页码：168-175
- 全文大小：1124 K
文摘
- •
Synthesis of new oxorhenium(V) complex cis-[ReO(btmp)PPh3Cl2] (2a) with 2-benzothiazolyl-5-methoxyphenol (Hbtmp).
- •
X-ray crystallography.
- •
Calculation of global chemical reactivity descriptors based on conceptual DFT for Re/Tc analogues of 2a.
- •
Global chemical reactivity descriptors rationalized against Tolman’s cone angle and electronic parameter.