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

1H-Pyrrole, 1-methyl-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase ion energetics data

Go To: Top, References, Notes

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

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)7.99 ± 0.07eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
7.94 ± 0.02PICooper, Williamson, et al., 1980LLK
8.4EISucrow, Bethke, et al., 1971LLK
8.09 ± 0.01PIPotapov and Yuzhakova, 1970RDSH
7.95 ± 0.05PEBaker, Betteridge, et al., 1970RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H6N+11.2 ± 0.1HPIPotapov and Yuzhakova, 1970RDSH

De-protonation reactions

C5H6N- + Hydrogen cation = 1H-Pyrrole, 1-methyl-

By formula: C5H6N- + H+ = C5H7N

Quantity Value Units Method Reference Comment
Deltar392.8 ± 3.1kcal/molG+TSDePuy, Kass, et al., 1988gas phase; Anion of N-methyl-pyrrole. Between Me2NH, H2O.; B
Quantity Value Units Method Reference Comment
Deltar386.0 ± 3.0kcal/molIMRBDePuy, Kass, et al., 1988gas phase; Anion of N-methyl-pyrrole. Between Me2NH, H2O.; B

References

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

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

Cooper, Williamson, et al., 1980
Cooper, C.D.; Williamson, A.D.; Miller, J.C.; Compton, R.N., Resonantly enhanced multiphoton ionization of pyrrole, N-methyl pyrrole, and furan, J. Chem. Phys., 1980, 73, 1527. [all data]

Sucrow, Bethke, et al., 1971
Sucrow, W.; Bethke, H.; Chondromatidis, G., Thermolyse von 1.2.4.5-Tetramethyl-hexahydro- 1.2.4.5-tetrazinen im Massenspektrometer, Tetrahedron Lett., 1971, 19, 1481. [all data]

Potapov and Yuzhakova, 1970
Potapov, V.K.; Yuzhakova, O.A., Photoionization and electronic structure of pyrrole and its methyl derivatives, Dokl. Akad. Nauk SSSR, 1970, 192, 131, In original 365. [all data]

Baker, Betteridge, et al., 1970
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E., Application of photoelectron spectrometry to pesticide analysis. Photoelectron spectra of fivemembered heterocycles and related molecules, Anal. Chem., 1970, 42, 1064. [all data]

DePuy, Kass, et al., 1988
DePuy, C.H.; Kass, S.R.; Bean, G.P., Formation and Reactions of Heteroaromatic Anions in the Gas Phase, J. Org. Chem., 1988, 53, 19, 4427, https://doi.org/10.1021/jo00254a001 . [all data]


Notes

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