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Geometrical structure approximation from

The geometrical structure of gaseous PH2 in its X Ai ground state appears to be similar to that of ground-state PH2 (with an internuclear distance of r=1.42 A and an interbond angle of a = 92° see p. 72). This was inferred from a sharp increase of the photodetachment cross section at threshold, measured by ion cyclotron resonance [2, 3] and from the predominance of the (0, 0, 0)<-(0, 0, 0) transition in the PH2, X Bi PH, X A photoelectron spectrum [4]. r=1.34 0.05 A and a = 92 5 were taken from the isoelectronic H2S molecule (and used to calculate the thermodynamic functions of PH, see p. 109) [5]. r and a have also been theoretically calculated by several ab initio MO methods, i.e., at an MP2 [6, 7], a CEPA (coupled electron pair approximation) [8], and an HF level [9 to 15]. r was also obtained from a united-atom approximation [16] a was also calculated by a semiempirical (CNDO/2) method [17] and estimated by extended Huckel calculations [18]. [Pg.107]


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See also in sourсe #XX -- [ Pg.79 ]

See also in sourсe #XX -- [ Pg.79 ]




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Geometric structure

Geometric structuring

Geometrical structure

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