cis-Conformation of indigo in the coordination complex (indigo-O,O)(Cp*(CrCl)-Cl-II)

Konarev Dmitri V.; Khasanov Salavat S.; Kuzmin Aleksey V.; Shestakov Alexander F.; Otsuka Akihiro; Yamochi Hideki; Saito Gunzi; Lyubovskaya Rimma N.

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cis-Conformation of indigo in the coordination complex (indigo-O,O)(Cp*(CrCl)-Cl-II)

机译：配位化合物（indigo-O，O）（Cp *（CrCl）-Cl-II）中靛蓝的顺式构象

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The interaction of decamethylchromocene (Cp*Cr-2) with indigo in the presence of a Cl- source yields the coordination complex (indigo-O,O)(Cp*(CrCl)-Cl-II) (1) in which one Cp* ligand at chromium is substituted by indigo. Indigo adopts an unusual cis-conformation in 1, allowing the coordination of both indigo carbonyl groups to one Cr-II center. Complex 1 contains Cr-II with an S = 1 spin state and indigo(0). At the same time, calculations show that an excited ionic state is positioned close to the neutral ground state, providing the appearance of intense low-energy NIR bands in the spectrum of 1 at 820 and 1002 nm attributed to metal-to-ligand charge transfer.

机译：十甲基二茂铬（Cp * Cr-2）与靛蓝在氯源存在下的相互作用产生配位化合物（indigo-O，O）（Cp *（CrCl）-Cl-II）（1）其中一个Cp *铬上的配体被靛蓝取代。靛蓝在1中采用不同寻常的顺式构象，使两个靛蓝羰基均配位至一个Cr-II中心。配合物1包含具有S = 1自旋态的Cr-II和靛蓝（0）。同时，计算表明，激发的离子态位于接近中性基态的位置，这归因于金属到配体的电荷转移，从而在820和1002 nm的1光谱中出现了强烈的低能NIR谱带。。

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《Dalton transactions: An international journal of inorganic chemistry》 |2016年第43期|共5页
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Konarev Dmitri V.; Khasanov Salavat S.; Kuzmin Aleksey V.; Shestakov Alexander F.; Otsuka Akihiro; Yamochi Hideki; Saito Gunzi; Lyubovskaya Rimma N.;
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1. cis-Conformation of indigo in the coordination complex (indigo-O,O)(Cp*(CrCl)-Cl-II) [J] . Konarev Dmitri V., Khasanov Salavat S., Kuzmin Aleksey V., Dalton transactions: An international journal of inorganic chemistry . 2016,第43期

机译：配位化合物（indigo-O，O）（Cp *（CrCl）-Cl-II）中靛蓝的顺式构象
2. Coordination compounds built up from (MCl2)-Cl-II and 3-cyanopyridine: double chains, single chains and isolated complexes [J] . Heine Miriam, Fink Lothar, Schmidt Martin U. CrystEngComm . 2019,第29期

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4. VAPOR COMPLEXATION IN THE CrCl3-ACl (A= Li, Cs) SYSTEM [C] . I. Tzianaki, D. Bakoulis, K. Kalambaliki International Symposium on Molten Salts . 2006

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5. Chemistry of copper peptide complexes: Alkoxide coordination in copper(II) and copper(III) peptide complexes, and base decomposition of copper(III) peptide complexes [D] . Wang, Lihua. 1991

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cis-Conformation of indigo in the coordination complex (indigo-O,O)(Cp*(CrCl)-Cl-II)

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