Structural Investigation of the Ground and Excited States of ClRe(CO)3(4,4′-bipyridyl)2 Using Vibrational Spectroscopyy

Daniel R. Gamelin; Michael W. George; Paul Glyn; Friedrich Wilhelm Grevels; Frank P.A. Jhonson; Werner Klotzbücher; Sara L. Morrison; Graham Russell; Kurt Schaffner; James J. Turner

doi:10.1021/ic00093a009

Structural Investigation of the Ground and Excited States of ClRe(CO)₃(4,4′-bipyridyl)₂ Using Vibrational Spectroscopyy

Daniel R. Gamelin
, Michael W. George
, Paul Glyn
, Friedrich Wilhelm Grevels
, Frank P.A. Jhonson
, Werner Klotzbücher
, Sara L. Morrison
, Graham Russell
, Kurt Schaffner
, James J. Turner

Research output: Journal Publication › Article › peer-review

142 Citations (Scopus)

Abstract

Fast time-resolved infrared spectroscopy (TRIR) is used to probe the v(CO) spectrum of ClRe(CO)₃(4,4′-bipyridyl)₂ in the lowest MLCT (metal-to-ligand charge transfer) excited state. The three ground-state v(CO) bands all shift up in frequency, but not by the same amount. The energy-factored force field (EFFF) of the ground state is accurately solved by employing.¹³CO-enrichment. Approximate methods yield information on the force field of the excited state; the principal EFFF force constants (k_CO(axial) and k_{CO(equatorial)}) change by the same amount on excitation. This leads to a new interpretation of the resonance Raman spectrum of the compound.

Original language	English
Pages (from-to)	3246-3250
Number of pages	5
Journal	Inorganic Chemistry
Volume	33
Issue number	15
DOIs	https://doi.org/10.1021/ic00093a009
Publication status	Published - 1 Jul 1994
Externally published	Yes

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry

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10.1021/ic00093a009

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@article{77d4daea7d4b4f7684630cb6e6ce0b1e,

title = "Structural Investigation of the Ground and Excited States of ClRe(CO)3(4,4′-bipyridyl)2 Using Vibrational Spectroscopyy",

abstract = "Fast time-resolved infrared spectroscopy (TRIR) is used to probe the v(CO) spectrum of ClRe(CO)3(4,4′-bipyridyl)2 in the lowest MLCT (metal-to-ligand charge transfer) excited state. The three ground-state v(CO) bands all shift up in frequency, but not by the same amount. The energy-factored force field (EFFF) of the ground state is accurately solved by employing.13CO-enrichment. Approximate methods yield information on the force field of the excited state; the principal EFFF force constants (kCO(axial) and kCO(equatorial)) change by the same amount on excitation. This leads to a new interpretation of the resonance Raman spectrum of the compound.",

author = "Gamelin, \{Daniel R.\} and George, \{Michael W.\} and Paul Glyn and Grevels, \{Friedrich Wilhelm\} and Jhonson, \{Frank P.A.\} and Werner Klotzb{\"u}cher and Morrison, \{Sara L.\} and Graham Russell and Kurt Schaffner and Turner, \{James J.\}",

year = "1994",

month = jul,

day = "1",

doi = "10.1021/ic00093a009",

language = "English",

volume = "33",

pages = "3246--3250",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "15",

}

TY - JOUR

T1 - Structural Investigation of the Ground and Excited States of ClRe(CO)3(4,4′-bipyridyl)2 Using Vibrational Spectroscopyy

AU - Gamelin, Daniel R.

AU - George, Michael W.

AU - Glyn, Paul

AU - Grevels, Friedrich Wilhelm

AU - Jhonson, Frank P.A.

AU - Klotzbücher, Werner

AU - Morrison, Sara L.

AU - Russell, Graham

AU - Schaffner, Kurt

AU - Turner, James J.

PY - 1994/7/1

Y1 - 1994/7/1

N2 - Fast time-resolved infrared spectroscopy (TRIR) is used to probe the v(CO) spectrum of ClRe(CO)3(4,4′-bipyridyl)2 in the lowest MLCT (metal-to-ligand charge transfer) excited state. The three ground-state v(CO) bands all shift up in frequency, but not by the same amount. The energy-factored force field (EFFF) of the ground state is accurately solved by employing.13CO-enrichment. Approximate methods yield information on the force field of the excited state; the principal EFFF force constants (kCO(axial) and kCO(equatorial)) change by the same amount on excitation. This leads to a new interpretation of the resonance Raman spectrum of the compound.

AB - Fast time-resolved infrared spectroscopy (TRIR) is used to probe the v(CO) spectrum of ClRe(CO)3(4,4′-bipyridyl)2 in the lowest MLCT (metal-to-ligand charge transfer) excited state. The three ground-state v(CO) bands all shift up in frequency, but not by the same amount. The energy-factored force field (EFFF) of the ground state is accurately solved by employing.13CO-enrichment. Approximate methods yield information on the force field of the excited state; the principal EFFF force constants (kCO(axial) and kCO(equatorial)) change by the same amount on excitation. This leads to a new interpretation of the resonance Raman spectrum of the compound.

UR - https://www.scopus.com/pages/publications/0042364593

U2 - 10.1021/ic00093a009

DO - 10.1021/ic00093a009

M3 - Article

AN - SCOPUS:0042364593

SN - 0020-1669

VL - 33

SP - 3246

EP - 3250

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 15

ER -

Structural Investigation of the Ground and Excited States of ClRe(CO)₃(4,4′-bipyridyl)₂ Using Vibrational Spectroscopyy

Abstract

ASJC Scopus subject areas

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