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Electronic Spectroscopy and Ligand Field Analysis of trans-[CrX2([15]aneN4)]+(X=F,CI)

trans-[CrX2([15]aneN4)]+(X=F,CI)의 전자분광학과 리간드장 해석

  • Jong-Ha Choi (Department of Chemistry, Andong National University) ;
  • In-Gyung Oh (Department of Chemistry, Andong National University) ;
  • Sang Hak Lee (Department of Chemistry, Kyungpook National University) ;
  • Yu Chul Park (Department of Chemistry, Kyungpook National University)
  • 최종하 (안동대학교 자연과학대학 화학과) ;
  • 오인경 (안동대학교 자연과학대학 화학과) ;
  • 이상학 (경북대학교 자연과학대학 화학과) ;
  • 박유철 (경북대학교 자연과학대학 화학과)
  • Published : 2003.04.20

Abstract

The electronic absorption spectra of trans-$[CrX_2([15]aneN_4)]ClO_4\;([15]aneN_4$=1,4,8,12-tetraazacyclopentadecane; X=F, Cl) complexes have been interpreted using the ligand field theory. An AOMX program is used to optimize the differences between the calculated and the observed positions for the spin-allowed transition bands. The crystal field theory(CFT) parameter is directly related to the angular overlap model(AOM), normalized spherical harmonic hamiltonians(NSH), and semiempirical parameters. The various ligand field parameters are discussed in terms of their chemical significances. According to the ligand field analysis, we can confirm that the fluoride ligand is a very strong ${\sigma}-$ and ${\pi}-$donor while the chloride has weak ${\sigma}-$ and ${\pi}-$donor properties toward chromium(III) ion.

Keywords

Cr(III)Complex;Electronic Transition;Ligand Field Analysis;[15]ane$N_4$

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