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Interatomic Distances and Nuclear Quadrupole Couplings in ClCN, BrCN, and ICN

1948; American Institute of Physics; Volume: 74; Issue: 4 Linguagem: Inglês

10.1103/physrev.74.370

1536-6065

Alex Smith, Harold Ring, William V. Smith, Walter Gordy,

Atmospheric Ozone and Climate

The following nuclear and molecular constants have been obtained from microwave measurements of the pure rotational spectra of $\mathrm{ClCN} (J=2\ensuremath{\rightarrow}3 \mathrm{transition})$, $\mathrm{BrCN} (J=3\ensuremath{\rightarrow}4)$, and $\mathrm{ICN} (J=4\ensuremath{\rightarrow}5)$. The moments of inertia from the ground vibrational states are, in ${\mathrm{g}\ensuremath{-}\mathrm{c}\mathrm{m}}^{2}$ \ifmmode\times\else\texttimes\fi{} ${10}^{\ensuremath{-}40}$: for ${\mathrm{Cl}}^{35}$${\mathrm{C}}^{12}$${\mathrm{N}}^{14}$, ${140.5}_{11}$; for ${\mathrm{Cl}}^{35}$${\mathrm{C}}^{13}$${\mathrm{N}}^{14}$, ${141.2}_{45}$; for ${\mathrm{Cl}}^{37}$${\mathrm{C}}^{12}$${\mathrm{N}}^{14}$, ${143.4}_{80}$; for ${\mathrm{Cl}}^{37}$${\mathrm{C}}^{13}$${\mathrm{N}}^{14}$, ${144.2}_{83}$; for ${\mathrm{Br}}^{79}$${\mathrm{C}}^{12}$${\mathrm{N}}^{14}$, ${203.6}_{21}$; for ${\mathrm{Br}}^{81}$${\mathrm{C}}^{12}$${\mathrm{N}}^{14}$, ${204.7}_{86}$; for ${\mathrm{Br}}^{79}$${\mathrm{C}}^{13}$${\mathrm{N}}^{14}$, ${205.9}_{64}$; for ${\mathrm{Br}}^{81}$${\mathrm{C}}^{13}$${\mathrm{N}}^{14}$, ${207.1}_{72}$; for ${\mathrm{I}}^{127}$${\mathrm{C}}^{12}$${\mathrm{N}}^{14}$, ${260.0}_{99}$; and for ${\mathrm{I}}^{127}$${\mathrm{C}}^{13}$${\mathrm{N}}^{14}$, ${264.0}_{72}$. The interatomic distances in A for the ground vibrational states are ${d}_{\mathrm{CCl}}=1.630$, ${d}_{\mathrm{CN}}=1.163$, for ClCN; ${d}_{\mathrm{CBr}}=1.789$, ${d}_{\mathrm{CN}}=1.160$, for BrCN; and ${d}_{\mathrm{CI}}=1.995$, ${d}_{\mathrm{CN}}=1.159$, for ICN. Quadrupole couplings in mc/s evaluated from the hyperfine structure are: for ${\mathrm{Cl}}^{35}$, -83.5; for ${\mathrm{Cl}}^{37}$, -65.0; for ${\mathrm{Br}}^{79}$, 686; for ${\mathrm{Br}}^{81}$, 573; and for ${\mathrm{I}}^{127}$, -2420.