Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Bromine isocyanate


Gas phase ion energetics data

Go To: Top, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
10.46 ± 0.01PEFrost, MacDonald, et al., 1980

Vibrational and/or electronic energy levels

Go To: Top, Gas phase ion energetics data, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Marilyn E. Jacox

State:   ?


 Energy 
 (cm-1
 Med.   Transition   «lambda»min 
 (nm) 
 «lambda»max 
 (nm) 
 References

Tx = 34200 gas Gottardi, 1972

State:   X


Vib. 
sym. 
 No.   Approximate 
 type of mode 
 cm-1   Med.   Method   References

a' 1 NCO a-stretch 2198.0 vs gas IR Gottardi, 1972
DeVore, 1987
Gerke, Schatte, et al., 1989
1 NCO a-stretch 2196 Ne IR Gerke, Schatte, et al., 1989
1 NCO a-stretch 2191.9 Ar IR Gerke, Schatte, et al., 1989
2 NCO s-stretch 1294.5 w gas IR Gottardi, 1972
DeVore, 1987
Gerke, Schatte, et al., 1989
2 NCO s-stretch 1290.9 Ne IR Gerke, Schatte, et al., 1989
2 NCO s-stretch 1296.9 Ar IR Gerke, Schatte, et al., 1989
3 NCO bend 687.7 w gas IR Gottardi, 1972
DeVore, 1987
Gerke, Schatte, et al., 1989
3 NCO bend 691.1 Ne IR Gerke, Schatte, et al., 1989
3 NCO bend 686.6 Ar IR Gerke, Schatte, et al., 1989
4 NBr stretch 506.0 w Ne IR Gerke, Schatte, et al., 1989
5 BrNC bend 137.4 w Ne IR Gerke, Schatte, et al., 1989
a 6 NCO bend 569.9 w gas IR Gottardi, 1972
DeVore, 1987
Gerke, Schatte, et al., 1989
6 NCO bend 572.2 Ne IR Gerke, Schatte, et al., 1989
6 NCO bend 563.1 Ar IR Gerke, Schatte, et al., 1989

Additional references: Jacox, 1994, page 198; Jemson, Lewis-Bevan, et al., 1984; Jemson, Lewis-Bevan, et al., 1986; Hensel, Lam, et al., 1992

Notes

wWeak
vsVery strong
xEnergy separation between the band maximum of the excited electronic state and the v = 0 level of the ground state.

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Frost, MacDonald, et al., 1980
Frost, D.C.; MacDonald, C.B.; McDowell, C.A.; Westwood, N.P.C., The HeI photoelectron spectra of the halogen azides, XN3(X=Cl and Br) and the halogen isocyanates, XNCO(X=Cl, Br and I), Chem. Phys., 1980, 47, 111. [all data]

Gottardi, 1972
Gottardi, W., Darstellung und Eigenschaften von Bromisocyanat, Monatsh. Chem., 1972, 103, 4, 1150, https://doi.org/10.1007/BF00905191 . [all data]

DeVore, 1987
DeVore, T.C., The infrared spectra of the halogen isocyanate and thiocyanate vapor molecules, J. Mol. Struct., 1987, 162, 3-4, 287, https://doi.org/10.1016/0022-2860(87)87060-6 . [all data]

Gerke, Schatte, et al., 1989
Gerke, M.; Schatte, G.; Willner, H., Bromine isocyanate, BrNCO, and its 15N, 13C, 18O isotopically enriched species: Assignment of vibrational spectra, force field, and structure, J. Mol. Spectrosc., 1989, 135, 2, 359, https://doi.org/10.1016/0022-2852(89)90162-8 . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jemson, Lewis-Bevan, et al., 1984
Jemson, H.M.; Lewis-Bevan, W.; Westwood, N.P.C.; Gerry, M.C.L., The microwave spectrum of bromine isocyanate, Brnco: Determination of rotational constants from quadrupole hyperfine structure, Chem. Phys. Lett., 1984, 108, 5, 496, https://doi.org/10.1016/0009-2614(84)85187-8 . [all data]

Jemson, Lewis-Bevan, et al., 1986
Jemson, H.M.; Lewis-Bevan, W.; Westwood, N.P.C.; Gerry, M.C.L., The microwave spectrum and structure of the unstable molecule bromine isocyanate, BrNCO, J. Mol. Spectrosc., 1986, 118, 2, 481, https://doi.org/10.1016/0022-2852(86)90184-0 . [all data]

Hensel, Lam, et al., 1992
Hensel, K.D.; Lam, M.E.; Gerry, M.C.L.; Willner, H., The microwave spectrum of BrNC18O and the structure of bromine isocyanate, J. Mol. Spectrosc., 1992, 151, 1, 184, https://doi.org/10.1016/0022-2852(92)90014-F . [all data]


Notes

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References