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. Author manuscript; available in PMC: 2014 May 13.
Published in final edited form as: Chemistry. 2009 Nov 9;15(44):11842–11852. doi: 10.1002/chem.200901538

Table 2.

Comparative theoretical and experimental asym C≡C frequencies [cm−1].[a]

M Theory (R=tBu) Exptl (R=SiPh3) Exptl (R= 4-tBuC6H4) Exptl (R=tBu)
1a, 2a, 3a 1b, 2b, 3b 1c, 2c, 3c
asym Diff asym Diff asym Diff asym Diff
Ca 2099 0 1980 0 2032 0 2035 0
Sr 2085 14 1969 11 2004 28 2002 33
Ba 2075 24 1955 25 1997 35 1998 37
[a]

Diff=CaasymC≡C−Sr or BaasymC≡C.