Abstract
A series of bromoalkanes was investigated by means of electron transmission spectroscopy in the gas phase. Experimental values of vertical electron affinities associated with occupation of the LUMO by an incoming electron were assigned using ab initio quantum chemical calculations. The predicted vertical electron affinity values differ from measured ones by at most ±0.2 eV.
References
G. J. Schulz, Rev. Mod. Phys., 1973, 45, 423.
L. Sanche and G. J. Schulz, Phys. Rev. A, 1972, 5, 1672.
T. Koopmans, Physica (Amsterdam), 1934, 1, 104.
D. Chen and G. A. Gallup, J. Chem. Phys., 1990, 93, 8893.
S. W. Staley and J. T. Strnad, J. Phys. Chem., 1994, 98, 116.
K. Aflatooni, G. A. Gallup, and P. D. Burrow, J. Phys. Chem. A, 2000, 104, 7359.
A. Modelli, Phys. Chem. Chem. Phys., 2003, 5, 2923.
A. Modelli and L. Szepes, Chem. Phys. Lett., 2003, 286, 165.
K. D. Jordan and P. D. Burrow, Chem. Rev., 1987, 87, 557.
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, Gaussian 03, Revision B.01, Gaussian Inc., Pittsburgh (PA), 2003.
J. A. Pople, Usp. Fiz. Nauk, 2002, 172, 349 [Physics-Uspekhi, 2002, 172 (Engl. Transl.)].
W. Kohn, Usp. Fiz. Nauk, 2002, 172, 336 [Physics-Uspekhi, 2002, 172 (Engl. Transl.)].
N. Heinrich, W. Koch, and G. Frenking, Chem. Phys. Lett., 1986, 124, 20.
A. Modelli, F. Scagnolari, G. Distefano, D. Jones, and M. Guerra, J. Chem. Phys., 1992, 96, 2061.
A. Modelli and D. Jones, J. Phys. Chem. A, 2004, 108, 417.
A. Modelli, J. Phys. Chem. A, 2005, 109, 6193.
J. C. Rienstra-Kiracofe, G. S. Tschumper, and H. F. Schaefer, III, Chem. Rev., 2002, 102, 231.
A. Modelli, L. Mussoni, and D. Fabbri, J. Phys. Chem. A, 2006, 6482.
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Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1222–1224, June, 2007.
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Pshenichnyuk, S.A., Asfandiarov, N.L. & Burrow, P.D. A relation between energies of the short-lived negative ion states and energies of unfilled molecular orbitals for a series of bromoalkanes. Russ Chem Bull 56, 1268–1270 (2007). https://doi.org/10.1007/s11172-007-0192-z
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DOI: https://doi.org/10.1007/s11172-007-0192-z