Abstract
The radical cations of butatriene (BT+•) and tetramethylbutatriene (TMBT+•) have been stabilized in low-temperature halocarbon matrices and studied by ESR spectroscopy. The spectra of BT+• and TMBT+• exhibit isotropic hyperfine splittings of 8.3 G (4H) and 13.0 G (12H), respectively. The skew angles of BT+• (25°) and TMBT+• (50°) are estimated by comparing the experimental hyperfine splittings with those obtained by semiempirical MO calculations.
| Original language | English |
|---|---|
| Pages (from-to) | 1187-1190 |
| Number of pages | 4 |
| Journal | Spectrochimica Acta Part A: Molecular Spectroscopy |
| Volume | 49 |
| Issue number | 8 |
| DOIs | |
| Publication status | Published - 1993 |
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An ESR and MO study of the butatriene and tetramethylbutatriene radical cations. / Kubozono, Yoshihiro; Miyamoto, T.; Shinmyozu, T.; Aoyagi, M.; Gondo, Y.; Takemura, H.; Shiotani, M.
In: Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 49, No. 8, 1993, p. 1187-1190.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - An ESR and MO study of the butatriene and tetramethylbutatriene radical cations
AU - Kubozono, Yoshihiro
AU - Miyamoto, T.
AU - Shinmyozu, T.
AU - Aoyagi, M.
AU - Gondo, Y.
AU - Takemura, H.
AU - Shiotani, M.
PY - 1993
Y1 - 1993
N2 - The radical cations of butatriene (BT+•) and tetramethylbutatriene (TMBT+•) have been stabilized in low-temperature halocarbon matrices and studied by ESR spectroscopy. The spectra of BT+• and TMBT+• exhibit isotropic hyperfine splittings of 8.3 G (4H) and 13.0 G (12H), respectively. The skew angles of BT+• (25°) and TMBT+• (50°) are estimated by comparing the experimental hyperfine splittings with those obtained by semiempirical MO calculations.
AB - The radical cations of butatriene (BT+•) and tetramethylbutatriene (TMBT+•) have been stabilized in low-temperature halocarbon matrices and studied by ESR spectroscopy. The spectra of BT+• and TMBT+• exhibit isotropic hyperfine splittings of 8.3 G (4H) and 13.0 G (12H), respectively. The skew angles of BT+• (25°) and TMBT+• (50°) are estimated by comparing the experimental hyperfine splittings with those obtained by semiempirical MO calculations.
UR - http://www.scopus.com/inward/record.url?scp=33748519715&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=33748519715&partnerID=8YFLogxK
U2 - 10.1016/0584-8539(93)80078-O
DO - 10.1016/0584-8539(93)80078-O
M3 - Article
VL - 49
SP - 1187
EP - 1190
JO - Spectrochimica Acta - Part A Molecular Spectroscopy
JF - Spectrochimica Acta - Part A Molecular Spectroscopy
SN - 0584-8539
IS - 8
ER -