Measurement of inter- and intramolecular charge transfer in the complex N-2 center dot center dot center dot ICI from analysis of halogen nuclear quadrupole hyperfine structure in the rotational spectrum
Jb. Davey et al., Measurement of inter- and intramolecular charge transfer in the complex N-2 center dot center dot center dot ICI from analysis of halogen nuclear quadrupole hyperfine structure in the rotational spectrum, J MOL ST-TH, 500, 2000, pp. 403-411
The ground-state rotational spectra of two isotopomers N-15(2)... (ICl)-Cl-
35 and N-15(2)... (ICl)-Cl-37 of a complex formed between dinitrogen and io
dine monochloride were observed by pulsed-jet, Fourier-transform microwave
spectroscopy. The spectra were inter preted on the basis of a linear equili
brium geometry with the weak bond formed between N and I. The spectroscopic
constants B-0, D-J, chi(aa)(I), chi(aa)(Cl) and M-bb(I) were determined fo
r each isotopomer and various models for the complex were employed to yield
the distance r(N ... I)= 3.180(2) Angstrom, the intermolecular stretching
force constant k(sigma) = 5.37(3)N m(-1), and the inter- and intramolecular
electronic transfers delta(i) = 0.004(3) and delta(p)(Cl) = 0.018(2). (C)
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