Die Photoelektron‐Spektren von CH 3 CH  t  CHCH 3 , CH 3 N  t  CHCH 3 , CH 3 N  t  NCH 3 , ein Beitrag zur Frage nach der Wechselwirkung zwischen den einsamen Elektronenpaaren der  trans ‐konfigurierten Azogruppe [1] | Zendy

Haselbach E. | Zendy; Heilbronner E. | Zendy

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Die Photoelektron‐Spektren von CH 3 CH t CHCH 3 , CH 3 N t CHCH 3 , CH 3 N t NCH 3 , ein Beitrag zur Frage nach der Wechselwirkung zwischen den einsamen Elektronenpaaren der trans ‐konfigurierten Azogruppe [1]

Author(s) -

Haselbach E.,

Heilbronner E.

Publication year - 1970

Publication title -

helvetica chimica acta

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.74

H-Index - 82

eISSN - 1522-2675

pISSN - 0018-019X

DOI - 10.1002/hlca.19700530403

Subject(s) - chemistry , mindo , molecular orbital , lone pair , spectral line , crystallography , atomic orbital , atomic physics , stereochemistry , molecule , physics , nuclear physics , organic chemistry , astronomy , electron

A correlation of the photoelectron spectra of trans ‐2‐butene, trans ‐acetaldehydemethylimin and trans ‐azomethane shows that the split Δ = ε ( a g ( n ))−ε ( b u ( n )) between the lone pair orbitals a g ( n ) and b u ( n ) of trans ‐azomethane amounts to 3.3 ± 0.2 eV. Molecular orbital calculations by the MINDO/1 procedure indicate that a g ( n ) lies above b u ( n ). In agreement with the experimental results the π‐orbital a u (π) is predicted to fall into the interval between a g ( n ) and b u ( n ).

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