A Discussion on photoelectron spectroscopy - A study of the bonding in the group IV tetrahalides by photoelectron spectroscopy

Green, J. C.; Green, Malcolm Leslie Hodder; Joachim, P. J.; Orchard, A. F.; Turner, D. W.

doi:10.1098/rsta.1970.0065

Cited by 136 publications

(6 citation statements)

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“…The occupied MOs of all three molecules have been investigated by photoelectron spectroscopy (34,38,39). There are three major bands in the photoelectron spectrum of CpTiCl, that are associated with MOs derived largely from the C1 3p orbitals but with some Ti-orbital participation.…”

Section: Introductionmentioning

confidence: 99%

“…Symmetry analyses of the EHMO wave functions indicates that the "e," MOs are of n * character, while the "t,," are of a * character. For this reason, the 2e ("e,") MOs of TiC1, (CpTiCl,) are often referred to as n*(e, Ti-C1) while the t2 ("tzEn) MOs are referred to as u*(t, Ti-Cl) (33)(34)(35). EHMO predicts that "Ao" for CpTiCl, is 1.10 eV in the ground state, increasing to 1.14 eV after C 1s excitation and to 1.28 eV after Ti 2p excitation.…”

Section: Introductionmentioning

confidence: 99%

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Inner shell spectroscopy of (η⁵-C₅H₅)₂TiCl₂, (η⁵-C₅H₅)TiCl₃, and TiCl₄

Wen¹,

Hitchcock²

1993

Can. J. Chem.

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,, CpTiCl,, and TiC1, have been derived from electron energy loss spectra recorded under electric dipole scattering conditions. The C Is spectra are interpreted with the aid of semiempirical extended Hiickel calculations and comparisons with the C 1s spectra of other cyclopentadienyl complexes. The Ti 2p spectra are interpreted using the extended Hiickel results and comparisons with atomic multiplet -crystal field calculations for ~i , ' taken from the literature.A.T. WEN et A.P. HITCHCOCK. Can. J. Chem. 71, 1632Chem. 71, (1993.Utilisant les spectres relatifs 2 la perte d'knergie klectronique enregistrks dans des conditions de diffusion des dipBles Clectriques, on a determink les forces de l'oscillateur pour l'excitation C 1s du Cp2TiC1, et du CpTiCl, en phase gazeuse (Cp = T&H,) et les excitations C1 2p et Ti 2p du Cp2TiC1,, du CpTiCl, et du TiCl, en phase gazeuse. On interprete les spectres C 1s a l'aide des calculs semi-empiriques Ctendus de Hiickel et des comparaisons des spectres C 1s d'autres complexes du cyclopentadiknyle. On interprkte les spectres Ti 2p en utilisant des rksultats de Hiickel Ctendus et des comparaisons avec des calculs multiplet atomique -champ cristallin pour le ~i " ' tires de la litterature.[Traduit par la rkdaction]

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Inner shell spectroscopy of (η⁵-C₅H₅)₂TiCl₂, (η⁵-C₅H₅)TiCl₃, and TiCl₄

Wen¹,

Hitchcock²

1993

Can. J. Chem.

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“…The effects of spin-orbit coupling on metal tetrahalides has been considered previously [12,24,28,29]. Inclusion of the spin orbit effects splits the 2 T levels as shown in the descent of symmetry table (Table 4).…”

Section: Spin-orbit Energy Levelsmentioning

confidence: 99%

“…Before looking at the calculation results it is useful to summarize the conclusions from a phenomenological approach developed many years ago [28]. In the absence of interaction between the I 5p orbitals and orbitals of the central atom (as is the case for the transition metal iodides) and further ignoring the need for normalization due to I-I overlap, the 1t 1 level should be split by À3f I6p /4, where f I6p is the spin-orbit coupling constant for I 5p orbitals.…”

Section: Spin-orbit Energy Levelsmentioning

confidence: 99%

The influence of relativistic effects on electronic energy levels in metal tetraiodides MI4 (M=Ti, Zr, Hf, Th)

Green

Egdell

2015

Polyhedron

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“…iron acyl (4). He also collaborated with his wife, Dr Jennifer Green, a brilliant specialist in theoretical and physical inorganic chemistry, to probe the bonding in organometallic compounds by photoelectron spectroscopy (7). This probably helped to give Malcolm a feeling for interpreting his chemistry in terms of orbitals at a much earlier stage than most others in the field.…”

Section: Early Careermentioning

confidence: 99%

Malcolm L. H. Green. 16 April 1936—24 July 2020

Crabtree

2021

Biogr. Mems Fell. R. Soc.

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Malcolm Green was a remarkable man—even a short meeting was enough to make this clear. He had that rare charismatic ability to connect personally with those around him, whatever their rank or status. Generous of his time with his current coworkers, he also made sure to provide help, encouragement or advice to his alumni as the need arose during their subsequent careers. Inspired by his lead, an unusually large number of them have become widely known figures in chemistry in the UK and beyond. Malcolm laid out his view on his students on one occasion when a visitor to the lab commented on how quickly a large sum had been raised by his alumni for a lectureship in his name. ‘They must really love you’, he said, to which Malcolm replied with his simple philosophy: ‘If you love them, they will love you.’ Malcolm's infectious passion for science and his imaginative approach led him in many diverse directions during his career. Although his signature field was organometallic chemistry, he made later important contributions in nanomaterials and heterogeneous catalysis. Always interested in the reasons why Nature behaves as it does, he pioneered several new and imaginative methods for interpreting and understanding chemical bonding and reactivity, such as the covalent bond classification scheme or the rules for predicting the regiochemistry of nucleophilic attack on organometallics. He cared deeply about education and was the author of the first textbook devoted to the organometallic chemistry of the transition metals, Organometallic compounds. Volume 2: the transition elements , which originally appeared as early as 1968.

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A Discussion on photoelectron spectroscopy - A study of the bonding in the group IV tetrahalides by photoelectron spectroscopy

Abstract: The photoelectron spectra excited by helium 21.2 eV radiation in the group IV halides, AB4, where A = C, Si, Ge, Sn, Ti and B = C1, Br, have been determined. The ionization potential data are discussed in terms of a simple molecular orbital description of the electronic structures.

Cited by 136 publications

References 4 publications

Inner shell spectroscopy of (η⁵-C₅H₅)₂TiCl₂, (η⁵-C₅H₅)TiCl₃, and TiCl₄

Inner shell spectroscopy of (η⁵-C₅H₅)₂TiCl₂, (η⁵-C₅H₅)TiCl₃, and TiCl₄

The influence of relativistic effects on electronic energy levels in metal tetraiodides MI4 (M=Ti, Zr, Hf, Th)

Malcolm L. H. Green. 16 April 1936—24 July 2020

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A Discussion on photoelectron spectroscopy - A study of the bonding in the group IV tetrahalides by photoelectron spectroscopy

Abstract: The photoelectron spectra excited by helium 21.2 eV radiation in the group IV halides, AB4, where A = C, Si, Ge, Sn, Ti and B = C1, Br, have been determined. The ionization potential data are discussed in terms of a simple molecular orbital description of the electronic structures.

Cited by 136 publications

References 4 publications

Inner shell spectroscopy of (η5-C5H5)2TiCl2, (η5-C5H5)TiCl3, and TiCl4

Inner shell spectroscopy of (η5-C5H5)2TiCl2, (η5-C5H5)TiCl3, and TiCl4

The influence of relativistic effects on electronic energy levels in metal tetraiodides MI4 (M=Ti, Zr, Hf, Th)

Malcolm L. H. Green. 16 April 1936—24 July 2020

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Inner shell spectroscopy of (η⁵-C₅H₅)₂TiCl₂, (η⁵-C₅H₅)TiCl₃, and TiCl₄

Inner shell spectroscopy of (η⁵-C₅H₅)₂TiCl₂, (η⁵-C₅H₅)TiCl₃, and TiCl₄