Electronic structure of Re2Cl82-

Albert P. Mortola; Jules W. Moskowitz; Notker Rosch; Charles D. Cowman; Harry B. Gray

doi:10.1016/0009-2614(75)85125-6

Electronic structure of Re₂Cl₈^2-

Albert P. Mortola
, Jules W. Moskowitz
, Notker Rosch
, Charles D. Cowman
, Harry B. Gray

Research output: Contribution to journal › Article › peer-review

72 Scopus citations

Abstract

The multiple scattering Xα method has been used to calculate the ordering of both occupied and unoccupied one-electron energy states of Re₃Cl₈^2-. Single crystal polarized electronic spectra of [(n-C₄H₉)₄N]₂[Re₂Cl₈] have been measured at 5 K. Principal band maxima are observed at 14 180 (z), 30870 (xy), and 39 215 (z) cm^-1. The calculation, observed polarizations, and a comparison of band positions in Re₂Cl₈^2- and Re₂Br₈^2- suggest the following transition assignments for the former complex: 14 180 cm^-1, b_2gδ → b_1uδ*; 30 870 cm^-1, e_g → b_1uδ*; 39 215 cm^-1, e_uπ → e_gπ*.

Original language	English
Pages (from-to)	283-286
Number of pages	4
Journal	Chemical Physics Letters
Volume	32
Issue number	2
DOIs	https://doi.org/10.1016/0009-2614(75)85125-6
State	Published - 15 Apr 1975
Externally published	Yes

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@article{1d2ed14965074b4293f5baf059a0bb3f,

title = "Electronic structure of Re2Cl82-",

abstract = "The multiple scattering Xα method has been used to calculate the ordering of both occupied and unoccupied one-electron energy states of Re3Cl82-. Single crystal polarized electronic spectra of [(n-C4H9)4N]2[Re2Cl8] have been measured at 5 K. Principal band maxima are observed at 14 180 (z), 30870 (xy), and 39 215 (z) cm-1. The calculation, observed polarizations, and a comparison of band positions in Re2Cl82- and Re2Br82- suggest the following transition assignments for the former complex: 14 180 cm-1, b2gδ → b1uδ*; 30 870 cm-1, eg → b1uδ*; 39 215 cm-1, euπ → egπ*.",

author = "Mortola, \{Albert P.\} and Moskowitz, \{Jules W.\} and Notker Rosch and Cowman, \{Charles D.\} and Gray, \{Harry B.\}",

note = "Funding Information: Tke .\&hors acknoivlddge the ti A.\&C. ccm; jiut@qjce,nteq {\textquoteright} for a generous g\&t cf \&z-iput\&{\textquoteleft}time. W! \$jank JoI\textasciitilde{}{\textquoteleft}Ca\textasciitilde{}a\textasciitilde{}y \&!{\textquoteleft}Johsj Wood fez a\&\textasciitilde{}+-,\_i{\textquoteleft}ng us tb use their cotipuier programs. Research at{\textquoteright} 1:{\textquoteright} Nyo,\&zq addit\$onaIly supported by the National {\textquoteleft}:: S\&nce Fdundation (GP-10331) and by@ Deutsche ,I.{\textquoteright} ,\textasciitilde{}orschungsge,meinscflaftl Research at t1le\textasciitilde{}CaJiforn.k 1{\textquoteright} Institut\& of-Tec\&ologLwas supported by the A\&r.{\textquoteleft}\_.",

year = "1975",

month = apr,

day = "15",

doi = "10.1016/0009-2614(75)85125-6",

language = "English",

volume = "32",

pages = "283--286",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "2",

}

TY - JOUR

T1 - Electronic structure of Re2Cl82-

AU - Mortola, Albert P.

AU - Moskowitz, Jules W.

AU - Rosch, Notker

AU - Cowman, Charles D.

AU - Gray, Harry B.

N1 - Funding Information: Tke .&hors acknoivlddge the ti A.&C. ccm; jiut@qjce,nteq ’ for a generous g&t cf &z-iput&‘time. W! $jank JoI~‘Ca~a~y &!‘Johsj Wood fez a&~+-,_i‘ng us tb use their cotipuier programs. Research at’ 1:’ Nyo,&zq addit$onaIly supported by the National ‘:: S&nce Fdundation (GP-10331) and by@ Deutsche ,I.’ ,~orschungsge,meinscflaftl Research at t1le~CaJiforn.k 1’ Institut& of-Tec&ologLwas supported by the A&r.‘_.

PY - 1975/4/15

Y1 - 1975/4/15

N2 - The multiple scattering Xα method has been used to calculate the ordering of both occupied and unoccupied one-electron energy states of Re3Cl82-. Single crystal polarized electronic spectra of [(n-C4H9)4N]2[Re2Cl8] have been measured at 5 K. Principal band maxima are observed at 14 180 (z), 30870 (xy), and 39 215 (z) cm-1. The calculation, observed polarizations, and a comparison of band positions in Re2Cl82- and Re2Br82- suggest the following transition assignments for the former complex: 14 180 cm-1, b2gδ → b1uδ*; 30 870 cm-1, eg → b1uδ*; 39 215 cm-1, euπ → egπ*.

AB - The multiple scattering Xα method has been used to calculate the ordering of both occupied and unoccupied one-electron energy states of Re3Cl82-. Single crystal polarized electronic spectra of [(n-C4H9)4N]2[Re2Cl8] have been measured at 5 K. Principal band maxima are observed at 14 180 (z), 30870 (xy), and 39 215 (z) cm-1. The calculation, observed polarizations, and a comparison of band positions in Re2Cl82- and Re2Br82- suggest the following transition assignments for the former complex: 14 180 cm-1, b2gδ → b1uδ*; 30 870 cm-1, eg → b1uδ*; 39 215 cm-1, euπ → egπ*.

UR - https://www.scopus.com/pages/publications/0011840409

U2 - 10.1016/0009-2614(75)85125-6

DO - 10.1016/0009-2614(75)85125-6

M3 - Article

AN - SCOPUS:0011840409

SN - 0009-2614

VL - 32

SP - 283

EP - 286

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 2

ER -

Electronic structure of Re₂Cl₈^2-

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