Faraday Discuss., 2000, 115 | |
Additions and corrections PFI-ZEKE photoelectron spectra of the methane cation and the dynamic JahnTeller effect |
R. Signorell and F. Merkt
Faraday Discuss., 2000, 115, 205 (DOI: 10.1039/a909272b)
Amendment published 26th July 2000
On page 221, eqn. (12) gives an incorrect value for the adiabatic ionisation potential of CD2H2. The correct value is as listed in Table 3 of the article and the corrected form of eqn. (12) should read:
IP = (101 852.3 ± 1.4) cm1 | (12) |
Amendment published 26th September 2000
An error occurred in the late stages of production which resulted in the column headings in Table 3 being misaligned and some of the table footnotes not appearing. The correct version of Table 3 is reproduced below:
IP/cm1 |
IP-IP(CH4)/cm1
experiment |
IP-IP(CH4)/cm1ab
initio |
Ref. |
|
CH4 | 101773 ± 35 a,b | 0 | 0 | This work |
100900a | | | 5 | |
103078a | | | 3 | |
102513±161a | | | 8 | |
101706±81a | | | 11 | |
101706c | | | 25 | |
98803c | | | 30 | |
CDH3 | 101820 ± 40a,b | 47 ± 53 | 52 | This work |
101810.0 ± 1.6d | 37.0 ± 35 | 52 | This work | |
CD2H2 | 101861 ± 25a,b | 88 ± 43 | 102 | This work |
101852.3 ± 1.4a,e | 78.1 ± 35 | 102 | This work | |
CD4 | 102210 ± 25a,b | 437 ± 43 | 429 | This work |
102197.1 ± 1.5a,e | 424.1 ± 35 | 429 | This work | |
103804 ± 161a | | | 8 | |
102094 ± 121a | | | 11 | |
aExperimental value.bThe uncertainty represents the half width at half maximum of the rotational contour of the lowest band.cTheoretical value.dValue determined from the tentative assignment of the rotationally resolved PFI-ZEKE photoelectron spectrum (see Section 4). This value corresponds to the N = 0, K = 0, evr = AN+ = 0, K+=0, evr+ = E transition. The influence of the electric field ionization sequence has been corrected for by a shift of 1.1 cm1. The uncertainty includes contributions from the calibration accuracy of both lasers, the accuracy of the field correction and the width of the observed lines.eValue determined from the analysis of the rotationally resolved PFI-ZEKE photoelectron spectra in Section 4.4. | ||||
On p. 221, lines 3 and 14 and p. 224, line 4, n should read .
The above errors occurred as a result of a technical problem after the proofs had been seen by the author.
The authors wish to make the following additional amendments to the paper:
On p. 226 under Conclusions, the fifth line before the end of the page should read:
By contrast, the significantly smaller gaps in the spectra of CDH3+ and CD2H2+ result from the zero-point energy difference of inequivalent minima.
The first line of the caption to Fig. 7 should read:
Fig. 7 C3v symmetrical potential V(q) of CH4+ along the one-dimensional pseudorotational reaction co-ordinate q.
The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.