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Volumn 39, Issue 12, 2004, Pages 1456-1466

Donor-acceptor properties of isonitriles studied by photoelectron spectroscopy and electron transmission spectroscopy

Author keywords

Carbonyl analogue ligand; Donor acceptor properties; Electron transmission spectroscopy; Isonitrile; Ultraviolet photoelectron spectroscopy

Indexed keywords

BONDING; IONIZATION; MASS SPECTROMETRY; PHOTOELECTRON SPECTROSCOPY; QUANTUM THEORY;

EID: 10844226489     PISSN: 10765174     EISSN: None     Source Type: Journal    
DOI: 10.1002/jms.761     Document Type: Conference Paper
Times cited : (19)

References (47)
  • 4
    • 0000587113 scopus 로고
    • Vibrational spectra and bonding in metal carbonyls. III. Force constants and assignments of CO stretching modes in various molecules; evaluation of CO bond orders
    • Cotton FA. Vibrational spectra and bonding in metal carbonyls. III. Force constants and assignments of CO stretching modes in various molecules; evaluation of CO bond orders. Inorg. Chem. 1964; 3: 702.
    • (1964) Inorg. Chem. , vol.3 , pp. 702
    • Cotton, F.A.1
  • 5
    • 0000641673 scopus 로고
    • The distribution of wave function and characteristic value among individual electrons of an atom
    • Koopmans T. The distribution of wave function and characteristic value among individual electrons of an atom. Physica 1933; 1: 104.
    • (1933) Physica , vol.1 , pp. 104
    • Koopmans, T.1
  • 6
    • 0344469459 scopus 로고
    • One-body Green's function for atoms and molecules. Theory and application
    • Cederbaum LS. One-body Green's function for atoms and molecules. Theory and application. J. Phys. B 1975; 8: 290; van Niessen W, Schirmer J, Cederbaum LS. Computational methods for the one-particle Green's function. Comput. Phys. Rep. 1984; 1: 57; Ortiz JV. Electron binding energies of anionic alkali metal atoms from partial fourth-order electron propagator theory calculations. J. Chem. Phys. 1988; 89: 6348; Zakrzewski VG, van Niessen W. Vectorizable algorithm for Green function and many-body perturbation methods. J. Comput. Chem. 1993; 14: 13; Zakrzewski VG, Ortiz JV. Semidirect algorithms in electron propagator calculations. Int. J. Quantum Chem. 1994; 28: 23; Zakrzewski VG, Ortiz JV. Semidirect algorithms for third-order electron propagator calculations. Int. J. Quantum Chem. 1995; 53: 583.
    • (1975) J. Phys. B , vol.8 , pp. 290
    • Cederbaum, L.S.1
  • 7
    • 0021411798 scopus 로고
    • Computational methods for the one-particle Green's function
    • Cederbaum LS. One-body Green's function for atoms and molecules. Theory and application. J. Phys. B 1975; 8: 290; van Niessen W, Schirmer J, Cederbaum LS. Computational methods for the one-particle Green's function. Comput. Phys. Rep. 1984; 1: 57; Ortiz JV. Electron binding energies of anionic alkali metal atoms from partial fourth-order electron propagator theory calculations. J. Chem. Phys. 1988; 89: 6348; Zakrzewski VG, van Niessen W. Vectorizable algorithm for Green function and many-body perturbation methods. J. Comput. Chem. 1993; 14: 13; Zakrzewski VG, Ortiz JV. Semidirect algorithms in electron propagator calculations. Int. J. Quantum Chem. 1994; 28: 23; Zakrzewski VG, Ortiz JV. Semidirect algorithms for third-order electron propagator calculations. Int. J. Quantum Chem. 1995; 53: 583.
    • (1984) Comput. Phys. Rep. , vol.1 , pp. 57
    • Van Niessen, W.1    Schirmer, J.2    Cederbaum, L.S.3
  • 8
    • 0000596596 scopus 로고
    • Electron binding energies of anionic alkali metal atoms from partial fourth-order electron propagator theory calculations
    • Cederbaum LS. One-body Green's function for atoms and molecules. Theory and application. J. Phys. B 1975; 8: 290; van Niessen W, Schirmer J, Cederbaum LS. Computational methods for the one-particle Green's function. Comput. Phys. Rep. 1984; 1: 57; Ortiz JV. Electron binding energies of anionic alkali metal atoms from partial fourth-order electron propagator theory calculations. J. Chem. Phys. 1988; 89: 6348; Zakrzewski VG, van Niessen W. Vectorizable algorithm for Green function and many-body perturbation methods. J. Comput. Chem. 1993; 14: 13; Zakrzewski VG, Ortiz JV. Semidirect algorithms in electron propagator calculations. Int. J. Quantum Chem. 1994; 28: 23; Zakrzewski VG, Ortiz JV. Semidirect algorithms for third-order electron propagator calculations. Int. J. Quantum Chem. 1995; 53: 583.
    • (1988) J. Chem. Phys. , vol.89 , pp. 6348
    • Ortiz, J.V.1
  • 9
    • 22944469840 scopus 로고
    • Vectorizable algorithm for Green function and many-body perturbation methods
    • Cederbaum LS. One-body Green's function for atoms and molecules. Theory and application. J. Phys. B 1975; 8: 290; van Niessen W, Schirmer J, Cederbaum LS. Computational methods for the one-particle Green's function. Comput. Phys. Rep. 1984; 1: 57; Ortiz JV. Electron binding energies of anionic alkali metal atoms from partial fourth-order electron propagator theory calculations. J. Chem. Phys. 1988; 89: 6348; Zakrzewski VG, van Niessen W. Vectorizable algorithm for Green function and many-body perturbation methods. J. Comput. Chem. 1993; 14: 13; Zakrzewski VG, Ortiz JV. Semidirect algorithms in electron propagator calculations. Int. J. Quantum Chem. 1994; 28: 23; Zakrzewski VG, Ortiz JV. Semidirect algorithms for third-order electron propagator calculations. Int. J. Quantum Chem. 1995; 53: 583.
    • (1993) J. Comput. Chem. , vol.14 , pp. 13
    • Zakrzewski, V.G.1    Van Niessen, W.2
  • 10
    • 84987058111 scopus 로고
    • Semidirect algorithms in electron propagator calculations
    • Cederbaum LS. One-body Green's function for atoms and molecules. Theory and application. J. Phys. B 1975; 8: 290; van Niessen W, Schirmer J, Cederbaum LS. Computational methods for the one-particle Green's function. Comput. Phys. Rep. 1984; 1: 57; Ortiz JV. Electron binding energies of anionic alkali metal atoms from partial fourth-order electron propagator theory calculations. J. Chem. Phys. 1988; 89: 6348; Zakrzewski VG, van Niessen W. Vectorizable algorithm for Green function and many-body perturbation methods. J. Comput. Chem. 1993; 14: 13; Zakrzewski VG, Ortiz JV. Semidirect algorithms in electron propagator calculations. Int. J. Quantum Chem. 1994; 28: 23; Zakrzewski VG, Ortiz JV. Semidirect algorithms for third-order electron propagator calculations. Int. J. Quantum Chem. 1995; 53: 583.
    • (1994) Int. J. Quantum Chem. , vol.28 , pp. 23
    • Zakrzewski, V.G.1    Ortiz, J.V.2
  • 11
    • 84987059325 scopus 로고
    • Semidirect algorithms for third-order electron propagator calculations
    • Cederbaum LS. One-body Green's function for atoms and molecules. Theory and application. J. Phys. B 1975; 8: 290; van Niessen W, Schirmer J, Cederbaum LS. Computational methods for the one-particle Green's function. Comput. Phys. Rep. 1984; 1: 57; Ortiz JV. Electron binding energies of anionic alkali metal atoms from partial fourth-order electron propagator theory calculations. J. Chem. Phys. 1988; 89: 6348; Zakrzewski VG, van Niessen W. Vectorizable algorithm for Green function and many-body perturbation methods. J. Comput. Chem. 1993; 14: 13; Zakrzewski VG, Ortiz JV. Semidirect algorithms in electron propagator calculations. Int. J. Quantum Chem. 1994; 28: 23; Zakrzewski VG, Ortiz JV. Semidirect algorithms for third-order electron propagator calculations. Int. J. Quantum Chem. 1995; 53: 583.
    • (1995) Int. J. Quantum Chem. , vol.53 , pp. 583
    • Zakrzewski, V.G.1    Ortiz, J.V.2
  • 12
    • 84962534251 scopus 로고
    • Applications of post-Hartree-Fock methods: A tutorial
    • Bartlett RJ, Stanton JF. Applications of post-Hartree-Fock methods: a tutorial. Rev. Comput. Chem. 1994; 5: 65; Nooijen M, Bartlett RJ. Equation of motion coupled cluster method for electron attachment. J. Chem. Phys. 1995; 102: 3629.
    • (1994) Rev. Comput. Chem. , vol.5 , pp. 65
    • Bartlett, R.J.1    Stanton, J.F.2
  • 13
    • 0000835501 scopus 로고
    • Equation of motion coupled cluster method for electron attachment
    • Bartlett RJ, Stanton JF. Applications of post-Hartree-Fock methods: a tutorial. Rev. Comput. Chem. 1994; 5: 65; Nooijen M, Bartlett RJ. Equation of motion coupled cluster method for electron attachment. J. Chem. Phys. 1995; 102: 3629.
    • (1995) J. Chem. Phys. , vol.102 , pp. 3629
    • Nooijen, M.1    Bartlett, R.J.2
  • 15
    • 14344276434 scopus 로고
    • Electron transmission spectroscopy. Rare gases
    • Sanche L, Schulz GJ. Electron transmission spectroscopy. Rare gases. Phys. Rev. A 1972; 5: 1672.
    • (1972) Phys. Rev. A , vol.5 , pp. 1672
    • Sanche, L.1    Schulz, G.J.2
  • 16
    • 0001977310 scopus 로고    scopus 로고
    • Gas-phase empty level structure in heterosubstituted hydrocarbons and organometallic compounds by means of electron transmission spectroscopy
    • Modelli A. Gas-phase empty level structure in heterosubstituted hydrocarbons and organometallic compounds by means of electron transmission spectroscopy. Trends Chem. Phys. 1997; 6: 57.
    • (1997) Trends Chem. Phys. , vol.6 , pp. 57
    • Modelli, A.1
  • 17
    • 33947092071 scopus 로고
    • Studies of the temporary anion states of unsaturated hydrocarbons by electron transmission spectroscopy
    • Jordan KD, Burrow PD. Studies of the temporary anion states of unsaturated hydrocarbons by electron transmission spectroscopy. Acco. Chem. Res. 1978; 11: 341.
    • (1978) Acco. Chem. Res. , vol.11 , pp. 341
    • Jordan, K.D.1    Burrow, P.D.2
  • 18
    • 0000638021 scopus 로고
    • The relationship of the virtual orbitals of self-consistent-field theory to temporary negative ions in electron scattering from molecules
    • Chen D, Gallup GA. The relationship of the virtual orbitals of self-consistent-field theory to temporary negative ions in electron scattering from molecules. J. Chem. Phys. 1990; 93: 8893.
    • (1990) J. Chem. Phys. , vol.93 , pp. 8893
    • Chen, D.1    Gallup, G.A.2
  • 19
    • 0001245109 scopus 로고
    • Calculation of the energies of π* negative ion resonance states by the use of Koopmans' theorem
    • Staley SW, Strnad JT. Calculation of the energies of π* negative ion resonance states by the use of Koopmans' theorem. J. Phys. Chem. 1994; 98: 116.
    • (1994) J. Phys. Chem. , vol.98 , pp. 116
    • Staley, S.W.1    Strnad, J.T.2
  • 20
    • 0042872845 scopus 로고    scopus 로고
    • Electron attachment and intramolecular electron transfer in unsaturated chloroderivatives
    • Modelli A. Electron attachment and intramolecular electron transfer in unsaturated chloroderivatives. Phys. Chem. Chem. Phys. 2003; 5: 2923.
    • (2003) Phys. Chem. Chem. Phys. , vol.5 , pp. 2923
    • Modelli, A.1
  • 21
    • 0000023106 scopus 로고
    • On the use of diffuse functions for estimating negative electron affinities with LCAO methods
    • Guerra M. On the use of diffuse functions for estimating negative electron affinities with LCAO methods. Chem. Phys. Lett. 1990; 167: 315.
    • (1990) Chem. Phys. Lett. , vol.167 , pp. 315
    • Guerra, M.1
  • 22
    • 2542593432 scopus 로고
    • The ultraviolet photoelectron spectra of aliphatic and aromatic isonitriles
    • Young VY, Cheng KL. The ultraviolet photoelectron spectra of aliphatic and aromatic isonitriles. J. Electron Spectrosco. Relat. Phenom. 1976; 9: 317.
    • (1976) J. Electron Spectrosco. Relat. Phenom. , vol.9 , pp. 317
    • Young, V.Y.1    Cheng, K.L.2
  • 24
  • 25
    • 0030576370 scopus 로고    scopus 로고
    • A novel method for the kinetic study of a chemical reaction. Determination of the kinetic parameters of the isomerisation reaction of methyl isocyanide using HeI photoelectron spectroscopy
    • Dianxun W, Ximei Q, Peng J. A novel method for the kinetic study of a chemical reaction. Determination of the kinetic parameters of the isomerisation reaction of methyl isocyanide using HeI photoelectron spectroscopy. Chem. Phys. Lett. 1996; 258: 149.
    • (1996) Chem. Phys. Lett. , vol.258 , pp. 149
    • Dianxun, W.1    Ximei, Q.2    Peng, J.3
  • 26
    • 0030606183 scopus 로고    scopus 로고
    • A linear relation between the ionization potentials of HeI photoelectron spectroscopy and NMR chemical shifts. A PES study of the electronic structure of alkyl isocyanides
    • Dianxun W, Xiemi Q, Shijun Zh. A linear relation between the ionization potentials of HeI photoelectron spectroscopy and NMR chemical shifts. A PES study of the electronic structure of alkyl isocyanides. Chem. Phys. Lett. 1996; 262: 776.
    • (1996) Chem. Phys. Lett. , vol.262 , pp. 776
    • Dianxun, W.1    Xiemi, Q.2    Shijun, Zh.3
  • 27
    • 0031557310 scopus 로고    scopus 로고
    • The isonitrile-nitrile isomerization: Kinetic parameters, reaction mechanism and relative photoionisation cross-section of the HOMO. A HeI photoelectron spectroscopy study
    • Dianxun W, Xiemi Q, Zhang Q. The isonitrile-nitrile isomerization: kinetic parameters, reaction mechanism and relative photoionisation cross-section of the HOMO. A HeI photoelectron spectroscopy study. Chem. Phys. Lett. 1997; 266: 560.
    • (1997) Chem. Phys. Lett. , vol.266 , pp. 560
    • Dianxun, W.1    Xiemi, Q.2    Zhang, Q.3
  • 29
    • 0011623042 scopus 로고
    • UV photoelectron spectrometer (ATOMKI ESA 32) for multipurpose chemical applications
    • Csákvári B, Nagy A, Zanathy L, Szepes L VUV photoelectron spectrometer (ATOMKI ESA 32) for multipurpose chemical applications. Magy. Kém. Foly. 1992; 98: 415.
    • (1992) Magy. Kém. Foly. , vol.98 , pp. 415
    • Csákvári, B.1    Nagy, A.2    Zanathy, L.3    Szepes V, L.4
  • 30
    • 0000854687 scopus 로고
    • Electron transmission spectroscopy study of the negative ion states of t-butyl and trimethylsilyl derivatives of ethylene and benzene
    • Modelli A, Jones D, Distefano G. Electron transmission spectroscopy study of the negative ion states of t-butyl and trimethylsilyl derivatives of ethylene and benzene. Chem. Phys. Lett. 1982; 86: 434.
    • (1982) Chem. Phys. Lett. , vol.86 , pp. 434
    • Modelli, A.1    Jones, D.2    Distefano, G.3
  • 33
    • 0004133516 scopus 로고    scopus 로고
    • Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA. Gaussian 98, Revision A.6; Gaussian 98, Revision A.11; Gaussian 03, Revision B.5; Gaussian 03, Revision C.2. Gaussian: Pittsburgh, PA, 2003.
    • Gaussian 98, Revision A.11
  • 34
    • 10844273375 scopus 로고    scopus 로고
    • Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA. Gaussian 98, Revision A.6; Gaussian 98, Revision A.11; Gaussian 03, Revision B.5; Gaussian 03, Revision C.2. Gaussian: Pittsburgh, PA, 2003.
    • Gaussian 03, Revision B.5
  • 35
    • 0141704726 scopus 로고    scopus 로고
    • Gaussian: Pittsburgh, PA
    • Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA. Gaussian 98, Revision A.6; Gaussian 98, Revision A.11; Gaussian 03, Revision B.5; Gaussian 03, Revision C.2. Gaussian: Pittsburgh, PA, 2003.
    • (2003) Gaussian 03, Revision C.2
  • 36
    • 10844255024 scopus 로고    scopus 로고
    • Gaussian: Pittsburgh, PA
    • Gaussview 3. Gaussian: Pittsburgh, PA, 2003.
    • (2003) Gaussview 3
  • 37
    • 84986513567 scopus 로고
    • Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis
    • Breneman CM, Wiberg KB. Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis. J. Comput. Chem. 1990; 11: 361.
    • (1990) J. Comput. Chem. , vol.11 , pp. 361
    • Breneman, C.M.1    Wiberg, K.B.2
  • 42
    • 0001324038 scopus 로고
    • Electron transmission study of the temporary anion states of substituted pyridines
    • Modelli A, Burrow PD. Electron transmission study of the temporary anion states of substituted pyridines. J. Electron Spectrosc. Related Phenom. 1983; 32: 263.
    • (1983) J. Electron Spectrosc. Related Phenom. , vol.32 , pp. 263
    • Modelli, A.1    Burrow, P.D.2
  • 43
    • 0001852261 scopus 로고
    • Electron transmission study of the temporary negative ion states of selected benzenoid and conjugated aromatic hydrocarbons
    • Burrow PD, Michejda JA, Jordan KD. Electron transmission study of the temporary negative ion states of selected benzenoid and conjugated aromatic hydrocarbons. J. Chem. Phys. 1987; 86: 9.
    • (1987) J. Chem. Phys. , vol.86 , pp. 9
    • Burrow, P.D.1    Michejda, J.A.2    Jordan, K.D.3
  • 44
    • 0001128588 scopus 로고
    • Electric dipole moments of several molecules from the Stark effect
    • Gosh SN, Trambarulo R, Gordy W. Electric dipole moments of several molecules from the Stark effect. J. Chem. Phys. 1953; 21: 308.
    • (1953) J. Chem. Phys. , vol.21 , pp. 308
    • Gosh, S.N.1    Trambarulo, R.2    Gordy, W.3
  • 45
    • 0001475195 scopus 로고
    • Electric dipole moment of carbon monoxide
    • Muenter JS. Electric dipole moment of carbon monoxide. J. Mol. Spectrosc. 1975; 55: 490.
    • (1975) J. Mol. Spectrosc. , vol.55 , pp. 490
    • Muenter, J.S.1
  • 46
    • 10844282030 scopus 로고
    • 2, einem neuen Distickstoff-Komplex
    • 2, a new dinitrogen complex. Angew. Chem. Int. Ed. Engl. 1971; 10: 919.
    • (1971) Angew. Chem. , vol.83 , pp. 1017
    • Sellmann, D.1


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