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Why Does the Middle Band in the Absorption Spectrum of Ni(H2O)6 2+ Have Two Maxima?

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Myriam Triest , Guillaume Bussière , Hugo Bélisle and Christian Reber

Département de Chimie, University of Montreal, PO Box 6128, Succ. Centre-ville, Montreal, QC H3C 3J7, Canada

J. Chem. Educ., 2000, 77 (5), p 670

DOI: 10.1021/ed077p670.2

Publication Date (Web): May 1, 2000

Section:

History, Education, and Documentation

Abstract

The band shape observed for the ³A_2g --> ³T_1g(³F),¹E_g crystal field transitions (1) in the UV-NIR absorption spectrum of Ni(H₂O)₆²⁺ is analyzed with a time-dependent theoretical model and visualized in this electronic publication. The importance of fast intersystem crossings is illustrated by our animations, as is the influence of the positions of the excited-state potential energy surfaces, along both the energy and the normal coordinate axes (2). The model quantitatively reproduces the experimental spectrum between 550 and 900 nm and illustrates the important symmetry and bonding information that can be obtained from electronic spectra of transition metal compounds.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Inorganic Chemistry

Keywords (Feature):

JCE Online

Keywords (Subject):

Coordination Compounds

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Citing Articles

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This article has been cited by 2 ACS Journal articles (2 most recent appear below).

Amphiphilic Diblock Copolymers for Molecular Recognition: Metal−Nitrilotriacetic Acid Functionalized Vesicles
Rainer Nehring, Cornelia G. Palivan, Oliver Casse, Pascal Tanner, Jens Tüxen and Wolfgang Meier
Langmuir2009 25 (2), 1122-1130
- Amphiphilic Diblock Copolymers for Molecular Recognition: Metal−Nitrilotriacetic Acid Functionalized Vesicles
  Rainer Nehring, Cornelia G. Palivan, Oliver Casse, Pascal Tanner, Jens Tüxen and Wolfgang Meier
  Langmuir2009 25 (2), 1122-1130
  Here we describe the design, synthesis, and characterization of new, metal-functionalized, amphiphilic diblock copolymers for molecular recognition. Polybutadiene-block-polyethylenoxide copolymers were synthesized by living anionic polymerization and end ...
  Abstract | Full Text HTML | Hi-Res PDF | PDF w/ Links
Triplet Electronic States in d² and d⁸ Complexes Probed by Absorption Spectroscopy: A CASSCF/CASPT2 Analysis of [V(H₂O)₆]³⁺ and [Ni(H₂O)₆]²⁺
Julie Landry-Hum, Guillaume Bussière, Chantal Daniel,* and Christian Reber
Inorganic Chemistry2001 40 (11), 2595-2601
- Triplet Electronic States in d² and d⁸ Complexes Probed by Absorption Spectroscopy: A CASSCF/CASPT2 Analysis of [V(H₂O)₆]³⁺ and [Ni(H₂O)₆]²⁺
  Julie Landry-Hum, Guillaume Bussière, Chantal Daniel,* and Christian Reber
  Inorganic Chemistry2001 40 (11), 2595-2601
  The interaction between the two 3T1g excited states of [Ni(H2O)6]2+ leads to potential energy surfaces with mixed electronic character and minima at similar values along the totally symmetric stretching normal coordinate, in contrast to [V(H2O)6]3+, where ...
  Abstract | Full Text HTML | Hi-Res PDF

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Received: August 03, 2009

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Why Does the Middle Band in the Absorption Spectrum of Ni(H2O)6 2+ Have Two Maxima?