1981
DOI: 10.1016/s0022-328x(00)82674-1
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η5-Pentadienyltricarbonylmanganese, an “open” analog of cymantrene

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Cited by 48 publications
(4 citation statements)
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“…(1) The 13C NMR chemical shift difference between and C3 (0.8 ppm at 30 °C and 8.6 ppm at -70 °C) is close to the values (0.9-1.1 ppm) observed for (Z)-pentadienyl-and (Z)-hexadienyl-potassium9b,12c rather than the values (17-21 ppm) observed for la and 3a-c of the E configuration, indicating that the C2-C3 bond has the Z configuration. (2) The ionic character of the M-C bond of 4 is larger than that of 1 by the inductive effect of three trimethylsilyl groups. The increased ionic character generally results in the Z configuration as was found for monoalkyl-substituted allyl-potassium16b and pentadienylpotassium.9b,12c (3) The ab initio SCF computation on pentadienyllithium with STO/3G atomic orbital suggested that the nonplanar S-shaped structure which is similar to 4a is more stable (12 kcal/mol) than the W-shaped structure if the effect of solvation or aggregation is negligible.19 On this bases, the structure of 4 was concluded to be the nonplanar Sshaped structure.…”
Section: Resultsmentioning
confidence: 99%
“…(1) The 13C NMR chemical shift difference between and C3 (0.8 ppm at 30 °C and 8.6 ppm at -70 °C) is close to the values (0.9-1.1 ppm) observed for (Z)-pentadienyl-and (Z)-hexadienyl-potassium9b,12c rather than the values (17-21 ppm) observed for la and 3a-c of the E configuration, indicating that the C2-C3 bond has the Z configuration. (2) The ionic character of the M-C bond of 4 is larger than that of 1 by the inductive effect of three trimethylsilyl groups. The increased ionic character generally results in the Z configuration as was found for monoalkyl-substituted allyl-potassium16b and pentadienylpotassium.9b,12c (3) The ab initio SCF computation on pentadienyllithium with STO/3G atomic orbital suggested that the nonplanar S-shaped structure which is similar to 4a is more stable (12 kcal/mol) than the W-shaped structure if the effect of solvation or aggregation is negligible.19 On this bases, the structure of 4 was concluded to be the nonplanar Sshaped structure.…”
Section: Resultsmentioning
confidence: 99%
“…FAB(+) mass spectra were recorded on a JEOL SX-102A instrument. Complex 1 [5] and [g 3 -(C 5 H 7 )Mn(CO) 3 (PMe 3 )] [2] were prepared according to literature procedures. Phenyl mercaptan, phosphites, phosphines, o-, m-, and p-aminothiophenols were acquired from Aldrich and used as received.…”
Section: Introductionmentioning
confidence: 99%
“…The reactions were monitored by IR spectroscopy in the n(CO) region and the reaction times reported correspond to the time when no further changes were observed in the CO groups' patterns. Complex (1) [15] was prepared according to literature procedures. 1,2-Bis(diphenylphosphino)ethane, ethylenediamine, 1,2-ethanedithiol, phenyl mercaptan, pentafluorophenyl mercaptan, m-, and p-aminothiophenols were acquired from Aldrich Chemical Co. and used as received.…”
Section: Methodsmentioning
confidence: 99%