Carrillo, Michael J.; Lin, Wei; Endo, Yasuki published an article in 2021. The article was titled 《Microwave spectrum and iodine nuclear quadrupole coupling constants of 1,1-diiodoethane》, and you may find the article in Journal of Molecular Spectroscopy.Computed Properties of C2H4I2 The information in the text is summarized as follows:
The high resolution rotational spectroscopic observation of 1,1-diiodoethane is investigated using a pulsed jet, cavity Fourier transform microwave (FTMW) spectrometer over the frequency range 11.5-18 GHz for the first time. The rotational constants, the centrifugal distortion constants, the nuclear spin-rotation coupling constants, and the complete tensor components of the nuclear quadrupole coupling for both iodine nuclei have been determined and reported. The fitted rotational constants are A = 4548.320446(47), B = 625.629141(55), C = 558.798939(43) MHz and the nuclear quadrupole coupling constants are χaa = -1089.8125(7), χbb – χcc = -542.3162(13), |χab| = 1215.7505(10), χbc = 340.8983(14), and |χac| = 562.4206(19) MHz. No A-E splittings due to the Me group internal rotation were observed Many dipole-forbidden/elec. quadrupole coupling allowed transitions were observed in the spectrum due to the large iodine quadrupole coupling effect. Quantum chem. calculations were performed at the CCSD(T)/aug-cc-pVTZ-pp level of theory. The calculated rotational constants, centrifugal distortion constants, and hyperfine constants were used to guide the data anal. In the experiment, the researchers used 1,2-Diiodoethane(cas: 624-73-7Computed Properties of C2H4I2)
1,2-Diiodoethane(cas: 624-73-7) is one of organic iodides. Alkyl iodides react at a faster rate than alkyl fluorides due to the weak C-I bond. Iodo alkanes participate in a variety of organic synthesis reactions, which include the SimmonsSmith reaction (cyclopropanation using iodomethane), Williamson ether synthesis, Wittig reaction, Grignard reaction, alkyl coupling reactions, and Wurtz reaction.Computed Properties of C2H4I2
Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com