NOVEL ORGANIC IONS OF HIGH-SPIN STATES .2. DETERMINATION OF THE SPIN MULTIPLICITY OF THE GROUND-STATE AND H-1-ENDOR STUDY OF THE MONOANION OF META-PHENYLENEBIS(PHENYLMETHYLENE)

被引:64
作者
MATSUSHITA, M
NAKAMURA, T
MOMOSE, T
SHIDA, T
TEKI, Y
TAKUI, T
KINOSHITA, T
ITOH, K
机构
[1] KYOTO UNIV,FAC SCI,DEPT CHEM,KYOTO 60601,JAPAN
[2] OSAKA CITY UNIV,FAC SCI,DEPT CHEM,SUMIYOSHI KU,OSAKA 558,JAPAN
关键词
D O I
10.1021/ja00045a020
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
ESR and H-1-ENDOR measurements of the title anion were performed at temperatures below 4 K. From the temperature dependence of the intensity of the ESR signal the spin multiplicity of the anion in the ground state was concluded to be quartet. The H-1-ENDOR measurement was carried out for the randomly oriented sample by monitoring the X- and Y-axis canonical peaks and the off-axis extra line. From the hyperfine coupling constants (hfcc) of the protons and the divalent C-13 atoms it was concluded that the excess electron in the anion occupies one of the two nonbonding pi-orbitals. The molecular conformation of the anion was suggested to be trans-trans in contrast to cis-trans for the neutral m-phenylenebis(phenylmethylene).
引用
收藏
页码:7470 / 7475
页数:6
相关论文
共 43 条
[31]   PREPARATION AND ELECTRON-SPIN-RESONANCE DETECTION OF A GROUND-STATE NONET HYDROCARBON AS A MODEL FOR ONE-DIMENSIONAL ORGANIC FERROMAGNETS [J].
TEKI, Y ;
TAKUI, T ;
ITOH, K ;
IWAMURA, H ;
KOBAYASHI, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1986, 108 (09) :2147-2156
[32]   DESIGN, PREPARATION, AND ELECTRON-SPIN-RESONANCE DETECTION OF A GROUND-STATE NONET HYDROCARBON AS A MODEL FOR ONE-DIMENSIONAL ORGANIC FERROMAGNETS [J].
TEKI, Y ;
TAKUI, T ;
ITOH, K ;
IWAMURA, H ;
KOBAYASHI, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (11) :3722-3723
[33]   SPIN ALIGNMENT IN ORGANIC HIGH-SPIN MOLECULES AS STUDIED BY ELECTRON-SPIN-RESONANCE AND THE GENERALIZED HUBBARD HAMILTONIAN APPROACH [J].
TEKI, Y ;
TAKUI, T ;
KINOSHITA, T ;
ICHIKAWA, S ;
YAGI, H ;
ITOH, K .
CHEMICAL PHYSICS LETTERS, 1987, 141 (03) :201-205
[34]   GENERAL CONDITIONS FOR THE OCCURRENCE OF OFF-AXIS EXTRA LINES IN POWDER-PATTERN ELECTRON-SPIN-RESONANCE FINE-STRUCTURE [J].
TEKI, Y ;
TAKUI, T ;
ITOH, K .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (10) :6134-6145
[35]   SPIN ALIGNMENT IN ORGANIC HIGH-SPIN MOLECULES - A HEISENBERG HAMILTONIAN APPROACH [J].
TEKI, Y ;
TAKUI, T ;
KITANO, M ;
ITOH, K .
CHEMICAL PHYSICS LETTERS, 1987, 142 (3-4) :181-186
[36]  
TEKI Y, IN PRESS
[37]   TOPOLOGICAL CONTROL OF ELECTRON LOCALIZATION IN PI-CONJUGATED POLYARYLMETHYL CARBOPOLYANIONS AND RADICAL-ANIONS [J].
UTAMAPANYA, S ;
RAJCA, A .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (24) :9242-9251
[38]   STABLE POLYRADICALS WITH HIGH-SPIN GROUND-STATES .1. SYNTHESIS, SEPARATION, AND MAGNETIC CHARACTERIZATION OF THE STEREOISOMERS OF 2,4,5,6-TETRACHLORO-ALPHA,ALPHA,ALPHA',ALPHA'-TETRAKIS(PENTACHLOROPHENYL)-META-XYLYLENE BIRADICAL [J].
VECIANA, J ;
ROVIRA, C ;
CRESPO, MI ;
ARMET, O ;
DOMINGO, VM ;
PALACIO, F .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (07) :2552-2561
[39]   QUINTET GROUND STATES OF M-DICARBENE AND M-DINITRENE COMPOUNDS [J].
WASSERMAN, E ;
MURRAY, RW ;
YAGER, WA ;
TROZZOLO, AM ;
SMOLINSKY, G .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (19) :5076-+
[40]   A GENERALIZED MO (GMO) APPROACH TO UNSTABLE MOLECULES WITH QUASI-DEGENERATE ELECTRONIC STATES - ABINITIO GMO CALCULATIONS OF INTRAMOLECULAR EFFECTIVE EXCHANGE INTEGRALS AND DESIGNING OF ORGANIC MAGNETIC POLYMERS [J].
YAMAGUCHI, K ;
TOYODA, Y ;
FUENO, T .
SYNTHETIC METALS, 1987, 19 (1-3) :81-86