Coordination of solvent molecules to VO(acac)2 complexes in solution studied by hyperfine sublevel correlation spectroscopy and pulsed electron nuclear double resonance

Vijayasarathi Nagarajan; Barbara Müller; Oksana Storcheva; Klaus Köhler; Andreas Pöppl

doi:10.1163/156856707782169408

Coordination of solvent molecules to VO(acac)₂ complexes in solution studied by hyperfine sublevel correlation spectroscopy and pulsed electron nuclear double resonance

Vijayasarathi Nagarajan, Barbara Müller, Oksana Storcheva, Klaus Köhler, Andreas Pöppl

Associate Professorship of Inorganic Chemistry

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

Abstract

Interactions and binding sites of the solvent molecules chloroform and ethanol to bis(acetylacetonate)oxovanadium(IV) (VO(acac)₂) complexes in (frozen) solutions have been investigated by pulsed electron nuclear double resonance, sum peak electron spin echo envelope modulation and hyperfine sublevel correlation spectroscopy. The experimental proton hyperfine coupling data of coordinating solvent molecules have been interpreted using quantum chemical calculations (density functional theory). Experimental and computed hyperfine couplings indicate that ethanol coordinates to vanadium in the equatorial plane of VO(acac)₂ and chloroform interacts via hydrogen bonding to oxygens of the acac ligands.

Original language	English
Pages (from-to)	705-724
Number of pages	20
Journal	Research on Chemical Intermediates
Volume	33
Issue number	8
DOIs	https://doi.org/10.1163/156856707782169408
State	Published - 1 Sep 2007

Keywords

Pulsed ESR
Solvation structure
VO(acac)

Access to Document

10.1163/156856707782169408

Cite this

@article{2202eda15a5547f7b45b31670bb98ddf,

title = "Coordination of solvent molecules to VO(acac)2 complexes in solution studied by hyperfine sublevel correlation spectroscopy and pulsed electron nuclear double resonance",

abstract = "Interactions and binding sites of the solvent molecules chloroform and ethanol to bis(acetylacetonate)oxovanadium(IV) (VO(acac)2) complexes in (frozen) solutions have been investigated by pulsed electron nuclear double resonance, sum peak electron spin echo envelope modulation and hyperfine sublevel correlation spectroscopy. The experimental proton hyperfine coupling data of coordinating solvent molecules have been interpreted using quantum chemical calculations (density functional theory). Experimental and computed hyperfine couplings indicate that ethanol coordinates to vanadium in the equatorial plane of VO(acac)2 and chloroform interacts via hydrogen bonding to oxygens of the acac ligands.",

keywords = "Pulsed ESR, Solvation structure, VO(acac)",

author = "Vijayasarathi Nagarajan and Barbara M{\"u}ller and Oksana Storcheva and Klaus K{\"o}hler and Andreas P{\"o}ppl",

note = "Funding Information: This research was supported by the Deutsche Forschungsgemeinschaft (Grants PO 426/3-3 and KO 1458/8-1) and the Fonds der Chemischen Industrie.",

year = "2007",

month = sep,

day = "1",

doi = "10.1163/156856707782169408",

language = "English",

volume = "33",

pages = "705--724",

journal = "Research on Chemical Intermediates",

issn = "0922-6168",

publisher = "Springer Netherlands",

number = "8",

}

Coordination of solvent molecules to VO(acac)₂ complexes in solution studied by hyperfine sublevel correlation spectroscopy and pulsed electron nuclear double resonance. / Nagarajan, Vijayasarathi; Müller, Barbara; Storcheva, Oksana et al.
In: Research on Chemical Intermediates, Vol. 33, No. 8, 01.09.2007, p. 705-724.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Coordination of solvent molecules to VO(acac)2 complexes in solution studied by hyperfine sublevel correlation spectroscopy and pulsed electron nuclear double resonance

AU - Nagarajan, Vijayasarathi

AU - Müller, Barbara

AU - Storcheva, Oksana

AU - Köhler, Klaus

AU - Pöppl, Andreas

N1 - Funding Information: This research was supported by the Deutsche Forschungsgemeinschaft (Grants PO 426/3-3 and KO 1458/8-1) and the Fonds der Chemischen Industrie.

PY - 2007/9/1

Y1 - 2007/9/1

N2 - Interactions and binding sites of the solvent molecules chloroform and ethanol to bis(acetylacetonate)oxovanadium(IV) (VO(acac)2) complexes in (frozen) solutions have been investigated by pulsed electron nuclear double resonance, sum peak electron spin echo envelope modulation and hyperfine sublevel correlation spectroscopy. The experimental proton hyperfine coupling data of coordinating solvent molecules have been interpreted using quantum chemical calculations (density functional theory). Experimental and computed hyperfine couplings indicate that ethanol coordinates to vanadium in the equatorial plane of VO(acac)2 and chloroform interacts via hydrogen bonding to oxygens of the acac ligands.

AB - Interactions and binding sites of the solvent molecules chloroform and ethanol to bis(acetylacetonate)oxovanadium(IV) (VO(acac)2) complexes in (frozen) solutions have been investigated by pulsed electron nuclear double resonance, sum peak electron spin echo envelope modulation and hyperfine sublevel correlation spectroscopy. The experimental proton hyperfine coupling data of coordinating solvent molecules have been interpreted using quantum chemical calculations (density functional theory). Experimental and computed hyperfine couplings indicate that ethanol coordinates to vanadium in the equatorial plane of VO(acac)2 and chloroform interacts via hydrogen bonding to oxygens of the acac ligands.

KW - Pulsed ESR

KW - Solvation structure

KW - VO(acac)

UR - http://www.scopus.com/inward/record.url?scp=36249005450&partnerID=8YFLogxK

U2 - 10.1163/156856707782169408

DO - 10.1163/156856707782169408

M3 - Article

AN - SCOPUS:36249005450

SN - 0922-6168

VL - 33

SP - 705

EP - 724

JO - Research on Chemical Intermediates

JF - Research on Chemical Intermediates

IS - 8

ER -

Coordination of solvent molecules to VO(acac)₂ complexes in solution studied by hyperfine sublevel correlation spectroscopy and pulsed electron nuclear double resonance

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this