[oscillate_wildly]

Hi,

I am currently in the process of writing up my lab reports and wanted to know how to report mass spectroscopy and elemental analysis in the RSC style.

In my report guidelines it suggests elemental analysis should be reported as follows:

"Shown in the form: Found: C, 63.1; H, 5.4. C₁₃H₁₃NO₄ requires C, 63.2; H, 5.3%."

My elemental analysis resulted in: Carbon:53.1%, Hydrogen 3.9%, Nitrogen 7.7% and Oxygen 35.3% and so the empirical formula is C₈H₇NO₄

What I'm having trouble with is substituting my values for the values in the example, i.e.:

Found C, x; H, y. C₈H₇NO₄ requires C, a; H, b%.

Any help on filing in the blanks would be greatly appreciated!

Also I wanted to know how to report mass spectroscopy in the RSC style, the example shows "m/z 183 (M+, 41%), 168 (38), 154 (9), 138 (31)."

But I want to know how to add assignments to the different factions. For example my mass spectrum has a peak at 181 (100) and another at 166 (50). I know that the difference is 15 so this corresponds to CH₃, but how do I report this in the RSC style?

Thanks in advanced!  

[cheese (MSW)]

Dalton Trans., 2011, 40, 9413
[Ni(L₅)(CH₃CN)₂](BPh₄)₂ 5. Yield 0.80 g, 70%. FT-IR (KBr):
3410 (b), 2266 (s), 1595 (s), 1512 (s), 1476 (s), 1425 (s), 1382 (s),
1346 (s), 1143 (s), 1125 (s), 1028 (s), 948 (s), 731 (s), 705 (s),
608 (s) cm-1. ESI-MS: m/z 234.48 [(M–CH₃CN–2BPh₄)₂+]. Anal.
Calcd. for C₇₆H₇₂N₆B₂Ni: C, 79.39; H, 6.31; N, 7.31. Found: C,
79.28; H, 6.28; N, 7.20.

Dalton Trans., 2011, 40, 9394
1a: Anal. Calcd. (%) for Re₂C₁₆H₈O₁₀S (764.7 g mol-1): C 25.13,
H 1.05, Found: C 25.44, H 1.13. MS-FAB (EI POS) m/z 763.6
and 765.6 (M+). IR (hexane, cm-1): ν(CO) 2103 (w), 2071 (w),
2042 (m), 2015 (vs), 2002 (s), 1994 (s), 1977 (w), 1955 (m), 1945
(w). 1H NMR (δ (ppm) in CDCl3): 7.65 (d, H3, 1H, J = 4.4 Hz),
7.11 (dd, H4, 1H, J = 4.4, 4.7 Hz), 7.65 (d, H5, 1H, J = 4.7 Hz),
4.51 (q, CH2, 2H, J = 7.0 Hz), 1.58 (t, CH3 , 3H, J = 7.0 Hz). 13C
NMR (δ(ppm) in CDCl3): 294.8 (C1), 193 (br, CO), 157.9 (C2),
132.8 (C3), 127.6 (C4), 132.5 (C5), 77.3 (CH2), 14.6 (CH3).

[oscillate_wildly]

Thank you for the reply.

I would much prefer an explanation as a pose to an excerpt from a journal.

For the elemental analysis, does that mean that found is the experimental data, and required is the calculated data?

I'm still struggling with the mass spectra repot.

Thanks again.

[oscillate_wildly]

Please *delete me* Someone must be able to explain this..