Theoretical study on the stability of double-decker type metal phthalocyanines, M(Pc)2 and M(Pc)2+ (M = Ti, Sn and Sc): a critical assessment on the performance of density functionals-Reference-Cited by-同舟云学术

Theoretical study on the stability of double-decker type metal phthalocyanines, M(Pc)2 and M(Pc)2+ (M = Ti, Sn and Sc): a critical assessment on the performance of density functionals

Published:2015 Issue:9 Volume:17 Page:6478-6483
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sumimoto Michinori¹²³⁴,Kawashima Yukio⁵⁶⁴,Hori Kenji¹²³⁴,Fujimoto Hitoshi⁷⁸⁹¹⁰⁴

Affiliation:

1. Graduate School of Science and Engineering

2. Yamaguchi University

3. Ube 755-8611

4. Japan

5. RIKEN Advanced Institute for Computational Science

6. Kobe

7. Department of Chemistry

8. Faculty of Science

9. Kumamoto University

10. Kumamoto 860-8555

Abstract

The results depend strongly on the functionals used for calculations.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP05645K

Reference68 articles.

1. Crystal structure of stannic phthalocyanine, an eight-coordinated tin complex

2. Moessbauer spectra of tin complexes of phthalocyanine and tetraarylporphines

3. Synthesis, structure, and spectroscopic and magnetic properties of lutetium(III) phthalocyanine derivatives: LuPc2.CH2Cl2 and [LuPc(OAc)(H2O)2].H2O.2CH3OH

4. Upward Temperature Shift of the Intrinsic Phase Lag of the Magnetization of Bis(phthalocyaninato)terbium by Ligand Oxidation Creating an S = 1/2 Spin

5. Lanthanide Double-Decker Complexes Functioning as Magnets at the Single-Molecular Level

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