Combinatorial experimental and DFT theoretical investigation over the formation mechanism of a binuclear phthalocyanine dimer-Reference-Cited by-同舟云学术

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Combinatorial experimental and DFT theoretical investigation over the formation mechanism of a binuclear phthalocyanine dimer

Published:2017 Issue:84 Volume:7 Page:53043-53047
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Wang Chiming¹²³⁴⁵,Chen Xin¹²³⁴⁵,Liu Qingyun⁶⁷⁸⁵^ORCID,Qi Dongdong¹²³⁴⁵,Wang Kang¹²³⁴⁵,Jiang Jianzhuang¹²³⁴⁵^ORCID

Affiliation:

1. Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline Materials

2. Department of Chemistry

3. University of Science and Technology Beijing

4. Beijing 100083

5. China

6. College of Chemical and Environmental Engineering

7. Shandong University of Science and Technology

8. Qingdao 266510

Abstract

Herein, a density functional calculation method was used to explore the formation mechanism of a metal-free, homobinuclear phthalocyanine dimer.

Funder

Natural Science Foundation of China

Beijing Municipal Commission of Education

University of Science and Technology Beijing

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/RA/C7RA10678E

Reference46 articles.

1. Computational Studies of Synthetically Relevant Homogeneous Organometallic Catalysis Involving Ni, Pd, Ir, and Rh: An Overview of Commonly Employed DFT Methods and Mechanistic Insights

2. Conceptual Density Functional Theory

3. Density Functional Theory

4. Computational Transition Metal Chemistry

5. DFT as a Powerful Predictive Tool in Photoredox Catalysis: Redox Potentials and Mechanistic Analysis

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. A theoretical approach for homogeneous CO₂ reduction by Ni(cyclam): substituents with intra-molecular hydrogen transfer;Inorganic Chemistry Frontiers;2022

2. Precise construction of lithiophilic sites by diyne-linked phthalocyanine polymer for suppressing metallic lithium dendrite;Dalton Transactions;2022

3. A two-dimensional porous conjugated porphyrin polymer for uniform lithium deposition;Dalton Transactions;2021

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