Detailed electronic structure of a high-spin cobalt(II) complex determined from NMR and THz-EPR spectroscopy

被引：31

作者：

Pavlov, Alexander A. ^{[1
,2
]}

Nehrkorn, Joscha ^{[3
,4
,5
]}

Pankratova, Yanina A. ^{[1
,6
]}

Ozerov, Mykhaylo ^{[3
,4
]}

Mikhalyova, Elena A. ^{[7
]}

Polezhaev, Alexander V. ^{[1
,8
]}

Nelyubina, Yulia V. ^{[1
,2
]}

Novikov, Valentin V. ^{[1
,2
]}

机构：

[1] Russian Acad Sci, AN Nesmeyanov Inst Organoelement Cpds, Vavilova Str 28, Moscow 119991, Russia

[2] Moscow Inst Phys & Technol, Inst Per 9, Dolgoprudnyi 141701, Moscow Region, Russia

[3] Natl High Magnet Field Lab, 1800 E Paul Dirac Dr, Tallahassee, FL 32310 USA

[4] Florida State Univ, 1800 E Paul Dirac Dr, Tallahassee, FL 32310 USA

[5] Max Planck Inst Chem Energy Convers, Stiftstr 34-36, D-45470 Mulheim, Germany

[6] Lomonosov Moscow State Univ, Moscow 119991, Russia

[7] Natl Acad Sci Ukraine, LV Pisarzhevskii Inst Phys Chem, Prospekt Nauki 31, UA-03028 Kiev, Ukraine

[8] Bauman Moscow State Tech Univ, 2 Ya Baumanskaya Ulitsa 5, Moscow 105005, Russia

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2019年 / 21卷 / 16期

基金：

俄罗斯科学基金会; 美国国家科学基金会;

关键词：

SINGLE-MOLECULE MAGNETS; PSEUDOCONTACT SHIFTS; ANISOTROPY; CROSSOVER; SPECTRA;

D O I：

10.1039/c9cp01474h

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Here we report a combined use of THz-EPR and NMR spectroscopy for obtaining a detailed electronic structure of a long-known high-spin complex, cobalt(ii) bis[tris(pyrazolyl)borate]. The lowest inter-Kramers transition was directly measured by THz-EPR spectroscopy, while the energies of higher Kramers doublets were estimated by a recently proposed NMR-based approach. Together, they produced magnetic parameters for a full model that explicitly includes spin-orbit coupling. This approach is applicable to all transition metal ions for which the spin-orbit coupling cannot be treated perturbatively.

引用

页码：8201 / 8204

页数：4

共 7 条

[1] High-Spin Cobalt(II) Complex with Record-Breaking Anisotropy of the Magnetic Susceptibility According to Paramagnetic NMR Spectroscopy Data
Ya. A. Pankratova
Yu. V. Nelyubina
V. V. Novikov
A. A. Pavlov
Russian Journal of Coordination Chemistry, 2021, 47 : 10 - 16
[2] High-Spin Cobalt(II) Complex with Record-Breaking Anisotropy of the Magnetic Susceptibility According to Paramagnetic NMR Spectroscopy Data
Pankratova, Ya. A.
Nelyubina, Yu. V.
Novikov, V. V.
Pavlov, A. A.
RUSSIAN JOURNAL OF COORDINATION CHEMISTRY, 2021, 47 (01) : 10 - 16
[3] Magnetic and spectroscopic characterizations of high-spin cobalt(II) complex with soft-scorpionate ligand
Baba, Haruyuki
Nakano, Motohiro
INORGANIC CHEMISTRY COMMUNICATIONS, 2012, 17 : 177 - 179
[4] Antisymmetric Spin Exchange in a μ-1,2-Peroxodicopper(II) Complex with an Orthogonal Cu-O-O-Cu Arrangement and S = 1 Spin Ground State Characterized by THz-EPR
Lohmiller, Thomas
Spyra, Can-Jerome
Dechert, Sebastian
Demeshko, Serhiy
Bill, Eckhard
Schnegg, Alexander
Meyer, Franc
JACS AU, 2022, 2 (05): : 1134 - 1143
[5] Probing the electronic structure of a copper(II) complex by CW- and pulse-EPR spectroscopy
Lada, Zoi G.
Sanakis, Yiannis
Raptopoulou, Catherine P.
Psycharis, Vassilis
Perlepes, Spyros P.
Mitrikas, George
DALTON TRANSACTIONS, 2017, 46 (26) : 8458 - 8475
[6] Elucidating the Electronic Structure of High-Spin [MnIII(TPP)Cl] Using Magnetic Circular Dichroism Spectroscopy
Galinato, Mary Grace I.
Brocious, Emily P.
Paulat, Florian
Martin, Sherri
Skodack, Joshua
Harland, Jill B.
Lehnert, Nicolai
INORGANIC CHEMISTRY, 2020, 59 (04) : 2144 - 2162
[7] Field-Induced Single-Ion Magnetism Based on Spin-Phonon Relaxation in a Distorted Octahedral High-Spin Cobalt(II) Complex
Ishikawa, Ryuta
Horii, Yoji
Nakanishi, Ryo
Ueno, Shunya
Breedlove, Brian K.
Yamashita, Masahiro
Kawata, Satoshi
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2016, (20) : 3233 - 3239

← 1 →