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The temporary anion states of trimethyl phosphate and several compounds bearing the P=O group were explored using electron transmission spectroscopy and ab initio calculations to determine if these states have the characteristics of the pi* resonances usually associated with multiple bonds. No evidence was found for this in (CH3O)3PO and, by extension, we do not expect them to appear in the phosphate group of DNA. Cl3PO, however, does display such characteristics to some extent, and we show that they arise from the spatial properties of the sigma* (P-Cl) orbitals rather than from multiple PO bonding. A novel computational means to explore effects due to the relative size of a molecular orbital and that of the angular momentum barrier responsible for confining the additional electron is presented.
Paul D Burrow, and
Gordon A Gallup, and
Alberto Modelli
April 1992,
Physical review. A, Atomic, molecular, and optical physics,
Paul D Burrow, and
Gordon A Gallup, and
Alberto Modelli
August 1995,
Physical review. A, Atomic, molecular, and optical physics,
Paul D Burrow, and
Gordon A Gallup, and
Alberto Modelli
February 2019,
The Journal of chemical physics,
Paul D Burrow, and
Gordon A Gallup, and
Alberto Modelli
April 1988,
Physical review. C, Nuclear physics,
Paul D Burrow, and
Gordon A Gallup, and
Alberto Modelli
February 2006,
The Journal of chemical physics,
Paul D Burrow, and
Gordon A Gallup, and
Alberto Modelli
June 1999,
Rapid communications in mass spectrometry : RCM,
Paul D Burrow, and
Gordon A Gallup, and
Alberto Modelli
December 1991,
Physical review letters,
Paul D Burrow, and
Gordon A Gallup, and
Alberto Modelli
October 2020,
The journal of physical chemistry. A,
Paul D Burrow, and
Gordon A Gallup, and
Alberto Modelli
July 2017,
Physical chemistry chemical physics : PCCP,
Paul D Burrow, and
Gordon A Gallup, and
Alberto Modelli
December 2016,
The Journal of chemical physics,
