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Title: Simulation strategies for unusual EPR spectra of binuclear mixed-valence manganese complexes: Synthesis, properties, and x-ray structures of the Mn sup II Mn sup III complexes (Mn sub 2 (bpmp)(. mu. -OAc) sub 2 )(ClO sub 4 ) sub 2 ter dot H sub 2 O and (Mn sub 2 (bcmp)(. mu. -OAc) sub 2 )(ClO sub 4 ) sub 2 ter dot CH sub 2 Cl sub 2

Abstract

The preparation, single-crystal x-ray structures, variable-temperature magnetic susceptibility, and novel EPR data are presented for two mixed-valence Mn{sup II}Mn{sup III} complexes. (Mn{sub 2}(bpmp)({mu}-OAc){sub 2})(ClO{sub 4}){sub 2}{center dot}H{sub 2}O, where bpmp{sup {minus}} is the monoanion of 2,6-bis(bis(2-pyridylmethyl)aminomethyl)-4-methylphenol, crystallizes in the monoclinic space group P2{sub 1}/n with a = 12.493 (1) {angstrom}, b = 21.583 (2) {angstrom}, c = 16.631 (2) {angstrom}, {beta} = 95.31 (1){degree}, Z = 4; R{sub F} = 0.061 and R{sub wF} = 0.085 for 4298 unique reflections (I > 3{sigma}(I)) at 297 (1) K. (Mn{sub 2}(bcmp)({mu}-OAc){sub 2})(ClO{sup {minus}}{sub 4}){sub 2}{center dot}CH{sub 2}Cl{sub 2}, where bcmp{sup {minus}} is the monoanion of 2,6-bis(1,4,67-triazacyclonon-l-ylmethyl)-4-methylphenol, crystallizes in the orthorhombic space group Pca2{sub 1} with a = 19.273 (1) {angstrom}, b = 15.155 (1) {angstrom}, c = 13.749 (3) {angstrom}, Z = 4; R{sub F} = 0.074 and R{sub wF} = 0.085 for 2324 unique reflections (I > 3{sigma}(I)) at 296 (1) K.

Authors:
; ; ; ;  [1]; ;  [2];  [3]
  1. Rutgers, The State Univ. of New Jersey, New Brunswick (USA)
  2. Univ. of Illinois, Urbana (USA)
  3. Univ. of California, San Diego (USA)
Publication Date:
OSTI Identifier:
6725864
Resource Type:
Journal Article
Journal Name:
Journal of the American Chemical Society; (USA)
Additional Journal Information:
Journal Volume: 111:14; Journal ID: ISSN 0002-7863
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; MANGANESE COMPLEXES; CRYSTAL STRUCTURE; MAGNETIC SUSCEPTIBILITY; SYNTHESIS; CALCULATION METHODS; DATA ANALYSIS; EXPERIMENTAL DATA; MEASURING INSTRUMENTS; MEASURING METHODS; ORGANOMETALLIC COMPOUNDS; COMPLEXES; DATA; INFORMATION; MAGNETIC PROPERTIES; NUMERICAL DATA; ORGANIC COMPOUNDS; PHYSICAL PROPERTIES; TRANSITION ELEMENT COMPLEXES; 360102* - Metals & Alloys- Structure & Phase Studies; 360104 - Metals & Alloys- Physical Properties; 400200 - Inorganic, Organic, & Physical Chemistry

Citation Formats

Diril, H, Zhang, Xiaohua, Potenza, J A, Schugar, H J, Isied, S S, Chang, Hsiu-rong, Nilges, M J, and Hendrickson, D N. Simulation strategies for unusual EPR spectra of binuclear mixed-valence manganese complexes: Synthesis, properties, and x-ray structures of the Mn sup II Mn sup III complexes (Mn sub 2 (bpmp)(. mu. -OAc) sub 2 )(ClO sub 4 ) sub 2 ter dot H sub 2 O and (Mn sub 2 (bcmp)(. mu. -OAc) sub 2 )(ClO sub 4 ) sub 2 ter dot CH sub 2 Cl sub 2. United States: N. p., 1989. Web. doi:10.1021/ja00196a013.
Diril, H, Zhang, Xiaohua, Potenza, J A, Schugar, H J, Isied, S S, Chang, Hsiu-rong, Nilges, M J, & Hendrickson, D N. Simulation strategies for unusual EPR spectra of binuclear mixed-valence manganese complexes: Synthesis, properties, and x-ray structures of the Mn sup II Mn sup III complexes (Mn sub 2 (bpmp)(. mu. -OAc) sub 2 )(ClO sub 4 ) sub 2 ter dot H sub 2 O and (Mn sub 2 (bcmp)(. mu. -OAc) sub 2 )(ClO sub 4 ) sub 2 ter dot CH sub 2 Cl sub 2. United States. doi:10.1021/ja00196a013.
Diril, H, Zhang, Xiaohua, Potenza, J A, Schugar, H J, Isied, S S, Chang, Hsiu-rong, Nilges, M J, and Hendrickson, D N. Wed . "Simulation strategies for unusual EPR spectra of binuclear mixed-valence manganese complexes: Synthesis, properties, and x-ray structures of the Mn sup II Mn sup III complexes (Mn sub 2 (bpmp)(. mu. -OAc) sub 2 )(ClO sub 4 ) sub 2 ter dot H sub 2 O and (Mn sub 2 (bcmp)(. mu. -OAc) sub 2 )(ClO sub 4 ) sub 2 ter dot CH sub 2 Cl sub 2". United States. doi:10.1021/ja00196a013.
@article{osti_6725864,
title = {Simulation strategies for unusual EPR spectra of binuclear mixed-valence manganese complexes: Synthesis, properties, and x-ray structures of the Mn sup II Mn sup III complexes (Mn sub 2 (bpmp)(. mu. -OAc) sub 2 )(ClO sub 4 ) sub 2 ter dot H sub 2 O and (Mn sub 2 (bcmp)(. mu. -OAc) sub 2 )(ClO sub 4 ) sub 2 ter dot CH sub 2 Cl sub 2},
author = {Diril, H and Zhang, Xiaohua and Potenza, J A and Schugar, H J and Isied, S S and Chang, Hsiu-rong and Nilges, M J and Hendrickson, D N},
abstractNote = {The preparation, single-crystal x-ray structures, variable-temperature magnetic susceptibility, and novel EPR data are presented for two mixed-valence Mn{sup II}Mn{sup III} complexes. (Mn{sub 2}(bpmp)({mu}-OAc){sub 2})(ClO{sub 4}){sub 2}{center dot}H{sub 2}O, where bpmp{sup {minus}} is the monoanion of 2,6-bis(bis(2-pyridylmethyl)aminomethyl)-4-methylphenol, crystallizes in the monoclinic space group P2{sub 1}/n with a = 12.493 (1) {angstrom}, b = 21.583 (2) {angstrom}, c = 16.631 (2) {angstrom}, {beta} = 95.31 (1){degree}, Z = 4; R{sub F} = 0.061 and R{sub wF} = 0.085 for 4298 unique reflections (I > 3{sigma}(I)) at 297 (1) K. (Mn{sub 2}(bcmp)({mu}-OAc){sub 2})(ClO{sup {minus}}{sub 4}){sub 2}{center dot}CH{sub 2}Cl{sub 2}, where bcmp{sup {minus}} is the monoanion of 2,6-bis(1,4,67-triazacyclonon-l-ylmethyl)-4-methylphenol, crystallizes in the orthorhombic space group Pca2{sub 1} with a = 19.273 (1) {angstrom}, b = 15.155 (1) {angstrom}, c = 13.749 (3) {angstrom}, Z = 4; R{sub F} = 0.074 and R{sub wF} = 0.085 for 2324 unique reflections (I > 3{sigma}(I)) at 296 (1) K.},
doi = {10.1021/ja00196a013},
journal = {Journal of the American Chemical Society; (USA)},
issn = {0002-7863},
number = ,
volume = 111:14,
place = {United States},
year = {1989},
month = {7}
}