Structures and Other Properties of Polyynes and their Isomers: Theoretical and Experimental Results - Polyynes: Synthesis, Properties, and Applications - page 389

TABLE 17.30
Fundamental Vibrational Frequencies of the Open C 6 H 2 Molecules

Molecule F1 F2 F3 F4 F5 F6 F7 F8 F9 Reference

[119] a

6O1(s) 3328 3313 2201 2125 2019 1115 625 625 622

6O1(s) 3328.76 - - 2128.91 - - - - 621.33 [127]

6O1(s) 3332 - - 2121 - 1115 - - 623 [121]

- {434} - - {6.6} - {0.2} - - {312} -

6O1(s) 3332 3322 - 2121 - 1123/1113 - - 628 [117]

6O1(s) 3478 3478 2354 2212 2102 1157 - - 652 [6]

- [194] [ ] [ ] [1] [ ] [1] - - [172] -

[88] b

6O1(s) 3353 - 2359 - - 1337 - - 852

- [151.2] - [15.3] - - [1.3] - - [36.0] -

6O1(s) 3465.53 3464.9 2308.82 2223.35 2105.8 1209.62 636.37 605.32 594.96 This work

- [212.3]R [0.117]R [0.00]R [1.13]R [0.00]R [3.30]R [0.00]R [0.00]R [93.4]R -

6O2(s) 3282 3184 2186 2078 1751 1459 1210 1013 850 [6]

- [5] [21] [1937] [304] [203] [1] [0] [0] [56] -

6O2(s) 3206.49 3129.31 2209.48 2108.10 1771.63 1421.79 1220.32 977.30 795.38 This work

- [1.88]R [17.2]R [1856]R [124]R [214]R [2.08]R [0.007]R [2.71]R [71.4] -