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. 2022 May 4;13(23):6830–6835. doi: 10.1039/d2sc01200f

Selected spectroscopic data for complexes prepared in this work, and some previously reported complexes for comparison.

Entry Complex 13C δC-αa 13C δC-βa 13C δCOa ν CO b (sym) ν CO b (asym) k CO c
2a Co(CO)25-AsC4Ph4) 137.2 135.1 203.8 2026 1978, 1970d 16.13
2b Co(CO)25-AsC4Ph2H2) 138.1 94.9 203.0 2032 1985, 1976d 16.23
2c Co(CO)25-AsC4Me4) 118.9e 113.1e 205.1e 2019 1967 16.02
2d Co(CO)25-AsC4Et4) 128.4e 118.8e 205.3e 2017 1965 15.99
2e Co(CO)25-AsC4(SiMe3)2Me2} 122.2e 119.8e 204.5e 2015 1962 15.95
2f Co(CO){P(OMe)3}(η5-AsC4Me4) 114.3 109.8 206.8 1947 15.39
2g Co(CO){P(OMe)3}(η5-AsC4Et4) 124.4 115.3 207.3 1945 15.36
2h Co(CO){P(OMe)3}{η5-AsC4(SiMe3)2Me2} 118.7 116.1 205.5 1941 15.30
Co(CO)25-C5H5)11 84.5e 205.6e 2033f 1972f 16.17
Co(CO)25-C5Me5)11 96.7e 207.9e 2011 1949 15.81
Co(CO)25-C5Ph5)8 No data reported 2000 1945 15.69
Co(CO)25-C5{CH2Ph}5)8 No data reported 2020 1960 15.97
Co(CO)25-PC4Ph2H2)9 No data reported 2030 1980 16.21
Co(CO)25-PC4tBu2H2)10 136.2 91.9 204.0 2023 1968 16.06
Co(CO){P(OMe)3}(η5-PC4tBu2H2)10 134.7 90.5 208.0 No data reported
a

C6D6 solution unless otherwise stated, ppm downfield from SiMe4, 25 °C; the labels α and β refer to ring-carbon positions with respect to the heteroatom (where applicable).

b

n-Hexane solution unless otherwise stated, cm−1, 25 °C.

c

Cotton–Kraihanzel force constant in N cm−1.

d

Resolution of the doubly degenerate E vibrational mode is observed in n-hexane for these complexes cf., νCO (CH2Cl2): 2a 2022, 1963 cm−1; 2b 2027, 1972 cm−1.

e

CDCl3 solution, 25 °C.

f

Cyclohexane solution.