Synthesis and Characterization and Structural Investigation of the First Vanadocene(IV) Carboxylic Acid Complexes Prepared fron the Vanadocene Dichloride

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F04%3A00101139" target="_blank" >RIV/61388955:_____/04:00101139 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Synthesis and Characterization and Structural Investigation of the First Vanadocene(IV) Carboxylic Acid Complexes Prepared fron the Vanadocene Dichloride

Original language description

Two types of vanadocene complexes with carboxylic acids have been synthesized from the aqueous solution, Cp2V(OOCR)2 (R=H, CH3 and CF3) and Cp2V(OOC-A-COO) (A= ů and CH2), and characterized by EPR, IR, and Raman spectroscopy and X-ray diffraction analysis. Monocarboxylic and dicarboxylic acids form bidentate and chelate complexes, respectively. Both bonding types were evidenced by X-ray diffraction analysis. Structures and EPR HFC tensors were also calculated at the DFT level. Correlation between the complex structure and HFC tensor was established. HFC tensors are characteristic for the type of bond of carboxylic acid on vanadocene fragment. It is shown that the structure of complexes can be determined by the combination of theoretical method with experimental EPR spectra.

Czech name

Syntéza, charakterizace a struktura prvních vanadocenových (IV) komplexů karboxylové kyseliny připravených z dichloridu vanadocenu

Czech description

Byly syntetizovány dva typy vanadocenových komplexů s karboxylovými skupinami z vodného roztoku Cp2 V(OOCR)2 a Cp2 V(OOC-A-COO) a byly charakterizovány EPR, IR a Ramanovou spektroskopií a rtg analýzou. Monokarboxylové a dikarboxylové kyseliny tvoří monodentalové respichelátové komplexy. Oba typy byly prokázány rtg analýzou. Struktury a EPR HFC tenzory byly též vypočítány na DFT úrovni. Byla stanovena korelace mezi strukturou komplexu a HFC tenzorem. HFC tenzory jsou charakteristické pro typ vazby karboxylové kyseliny na vanadocenovém fragmentu. Je ukázáno, že strukturu komplexů lze určit kombinací teoretického výpočtu a experimentálních EPR spekter

Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

<a href="/en/project/LN00A032" target="_blank" >LN00A032: Structure and dynamics of complex molecular systems and biomolecules</a><br>

Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2004

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Organometallic Chemistry

ISSN

0022-328X

e-ISSN

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Volume of the periodical

689

Issue of the periodical within the volume

7

Country of publishing house

CH - SWITZERLAND

Number of pages

8

Pages from-to

1180-1187

UT code for WoS article

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EID of the result in the Scopus database

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