{"title":"卟啉、反式二苯并卟啉、酞菁、氧配体等杂配物中Zn(IV)氧化态存在的可能性:量子化学综述","authors":"O. Mikhailov, D. Chachkov","doi":"10.1080/02603594.2020.1718120","DOIUrl":null,"url":null,"abstract":"ABSTRACT Based on the quantum-chemical calculation using the Density Functional Theory (DFT) method, the existence possibility of zinc heteroligand complexes with porphyrazine and its analogs – trans-di[benzo]porphyrazine or phthalocyanine and oxo ligands with an oxidation state of IV which is unknown for this element, was shown. The data on the structural parameters and multiplicity of the ground state of these complexes were presented. Graphical Abstract Comments on Inorganic Chemistry Volume ……., Issue ……., Pages ………. (2020). About of Possibility of Existence of Zn(IV) Oxidation State in Heteroligand Complexes with Porphyrazine, trans-Di[benzo]porphyrazine, Phthalocyanine and Oxo Ligands: Quantum-Chemical Review. Oleg V. Mikhailov, Denis V. Chachkov","PeriodicalId":10481,"journal":{"name":"Comments on Inorganic Chemistry","volume":"202 1","pages":"107 - 115"},"PeriodicalIF":3.8000,"publicationDate":"2020-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"About of Possibility of Existence of Zn(IV) Oxidation State in Heteroligand Complexes with Porphyrazine, trans-Di[benzo]porphyrazine, Phthalocyanine, and Oxo Ligands: Quantum-Chemical Review\",\"authors\":\"O. Mikhailov, D. Chachkov\",\"doi\":\"10.1080/02603594.2020.1718120\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"ABSTRACT Based on the quantum-chemical calculation using the Density Functional Theory (DFT) method, the existence possibility of zinc heteroligand complexes with porphyrazine and its analogs – trans-di[benzo]porphyrazine or phthalocyanine and oxo ligands with an oxidation state of IV which is unknown for this element, was shown. The data on the structural parameters and multiplicity of the ground state of these complexes were presented. Graphical Abstract Comments on Inorganic Chemistry Volume ……., Issue ……., Pages ………. (2020). About of Possibility of Existence of Zn(IV) Oxidation State in Heteroligand Complexes with Porphyrazine, trans-Di[benzo]porphyrazine, Phthalocyanine and Oxo Ligands: Quantum-Chemical Review. Oleg V. Mikhailov, Denis V. Chachkov\",\"PeriodicalId\":10481,\"journal\":{\"name\":\"Comments on Inorganic Chemistry\",\"volume\":\"202 1\",\"pages\":\"107 - 115\"},\"PeriodicalIF\":3.8000,\"publicationDate\":\"2020-01-31\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Comments on Inorganic Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1080/02603594.2020.1718120\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Comments on Inorganic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1080/02603594.2020.1718120","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
About of Possibility of Existence of Zn(IV) Oxidation State in Heteroligand Complexes with Porphyrazine, trans-Di[benzo]porphyrazine, Phthalocyanine, and Oxo Ligands: Quantum-Chemical Review
ABSTRACT Based on the quantum-chemical calculation using the Density Functional Theory (DFT) method, the existence possibility of zinc heteroligand complexes with porphyrazine and its analogs – trans-di[benzo]porphyrazine or phthalocyanine and oxo ligands with an oxidation state of IV which is unknown for this element, was shown. The data on the structural parameters and multiplicity of the ground state of these complexes were presented. Graphical Abstract Comments on Inorganic Chemistry Volume ……., Issue ……., Pages ………. (2020). About of Possibility of Existence of Zn(IV) Oxidation State in Heteroligand Complexes with Porphyrazine, trans-Di[benzo]porphyrazine, Phthalocyanine and Oxo Ligands: Quantum-Chemical Review. Oleg V. Mikhailov, Denis V. Chachkov
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Comments on Inorganic Chemistry is intended as a vehicle for authoritatively written critical discussions of inorganic chemistry research. We publish focused articles of any length that critique or comment upon new concepts, or which introduce new interpretations or developments of long-standing concepts. “Comments” may contain critical discussions of previously published work, or original research that critiques existing concepts or introduces novel concepts.
Through the medium of “comments,” the Editors encourage authors in any area of inorganic chemistry - synthesis, structure, spectroscopy, kinetics and mechanisms, theory - to write about their interests in a manner that is both personal and pedagogical. Comments is an excellent platform for younger inorganic chemists whose research is not yet widely known to describe their work, and add to the spectrum of Comments’ author profiles, which includes many well-established inorganic chemists.
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