Spin modification of iron(ii) complexes via covalent (dative) and dispersion guided non-covalent bonding with N-heterocyclic carbenes: DFT, DLPNO-CCSD(T) and MCSCF studies-Reference-Cited by-同舟云学术

Spin modification of iron(ii) complexes via covalent (dative) and dispersion guided non-covalent bonding with N-heterocyclic carbenes: DFT, DLPNO-CCSD(T) and MCSCF studies

Published:2020 Issue:1 Volume:49 Page:164-170
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Manna Debashree¹²³⁴⁵,Lo Rabindranath¹²³⁴⁵^ORCID,Hobza Pavel¹²³⁴⁵^ORCID

Affiliation:

1. Institute of Organic Chemistry and Biochemistry

2. Academy of Sciences of the Czech Republic

3. 16610 Prague 6

4. Czech Republic

5. Regional Centre of Advanced Technologies and Materials

Abstract

Spin crossover from high spin Fe(ii)-phthalocyanine to low or intermediate spin via either dative covalent or non-covalent interaction by just varying the substituent using the same core ligand.

Funder

Akademie Věd České Republiky

Ministerstvo Školství, Mládeže a Tělovýchovy

Grantová Agentura České Republiky

European Regional Development Fund

European Social Fund

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/DT/C9DT04334A