New Types of CO-Releasing Molecules (CO-RMs), Based on Iron Dithiocarbamate Complexes and [Fe(CO)3I(S2COEt)]
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https://figshare.com/articles/dataset/New_Types_of_CO_Releasing_Molecules_CO_RMs_Based_on_Iron_Dithiocarbamate_Complexes_and_Fe_CO_sub_3_sub_I_S_sub_2_sub_COEt_/2493232
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New CO-releasing molecules, [Fe(CO)3X(S2CNR2)] and [Fe(CO)3I(S2COEt)], are reported. [Fe(CO)3X(S2CNR2)] releases the first two carbonyls rapidly to myoglobin (t1/2 3I(S2COEt)], only 0.4 mol of CO are lost. [Fe(CO)3Br(S2CNEt2)] has low toxicity. CO loss is much slower from [Fe(CO)2(S2CNR2)2] (R2 = Me2, Et2, (CH2CH2)2O, (CH2CH2)2, (CH2CH2OH)2; t1/2 >24 h) and is not observed from [Fe(CO)2(S2COEt)2]. The mechanism of CO loss was investigated using Gaussian 09 calculations for [Fe(CO)3Br(S2CNMe2)] and [Fe(CO)2(S2CNMe2)2]. The X-ray structures of [Fe(CO)3Br(S2CNMe2)] and [Fe(CO)3I(S2CNEt2)]2I2 were determined.
创建时间：
2016-02-20
