Parameter | Value | Ref. |
---|---|---|
Rotational Constants | ||
A″ [MHz] | 6426.1205(69) | a |
B″ [MHz] | 8225.6602(12) | |
C″ [MHz] | 4271.4441(31) | |
τ1 [MHz] | -0.02703(603) | |
τ2 [MHz] | -0.00822(203) | |
τ3 [MHz] | 1.37(20) b | |
τaaaa [MHz] | -0.01347(199) | |
τbbbb [MHz] | -0.01484(228) | |
Dipole Moment | ||
µb [C · m] µb [D] |
0.419(4) |
65030 |
Magnetic Constants | ||
gaa | -0.0700(3) µN | 70065 |
gbb | -0.0827(3) µN | |
gcc | 0.0385(2) µN | |
2χaa - χbb - χcc | ||
2χbb - χaa - χcc | ||
Qaa | ||
Qbb | ||
Qcc |
a J. Phys. Chem. Ref. Data 18(3), 1245-1524 (1989). b Value determined by setting R6 = 0. |
Parameter | 13C1 a | 13C2 | 13C3 | Ref. |
---|---|---|---|---|
A [MHz] | 8226.04(3) | 8420.02(3) | 8345.11(3) | 65030 |
B [MHz] | 8219.46(3) | 8040.41(3) | 8108.70(3) | |
C [MHz] | 4217.76(3) | 4119.40(3) | 4119.07(3) |
a Atom numbering is as follows: where C3 and C4 and C3 and C5 are equivalent. |
Parameter | CH2 = CHCCCH3 | Ref. |
---|---|---|
A [GHz] | 36.8(17) | 71045 |
B [MHz] | 2126.90(10) | |
C [MHz] | 2026.32(10) | |
Dipole Moment | ||
µa [C · m] µa [D] |
0.571(2) |
71045 |
µb [C · m] µb [D] |
0.334(41) |
Parameter | C3H5C ≡ CH | Ref. | C3H5C ≡ CD | Ref. |
---|---|---|---|---|
A [MHz] | 15 722.90(133) | 83051, 72062 | 15 653.(63) | 72062 |
B [MHz] | 3360.006(4) | 3139.67(2) | ||
C [MHz] | 3192.703(4) | 2997.95(2) | ||
µa [C · m] µa [D] |
0.891(10) |
|||
µc [C · m] µc [D] |
0.048(10) |
Isotopic Species | A [MHz] | B [MHz] | C [MHz] | Ref. |
---|---|---|---|---|
Rotational Constants | ||||
|
15 538.76(3604) | 3350.53(2) | 3190.99(2) | 83051 |
|
15 426.69(2363) | 3319.58(2) | 3146.32(2) | |
|
15681.92(2400) | 3334.68(2) | 3170.33(2) | |
|
15772.14(2171) | 3254.22(2) | 3097.90(1) |
Parameter | CH2C(CH3)CCH | Ref. |
---|---|---|
Rotation-Internal Rotation Constants | ||
A [MHz] | 9359.699(32) | a |
B [MHz] | 4013.514(20) | |
C [MHz] | 2854.749(11) | |
ΔJK [kHz] | 15.9(12) | |
δJ [kHz] | 0.45(18) | |
δK [kHz] | 5.9(30) | |
3.133 b | ||
θ | 59.2° b | |
V3 (cm-1) | 2016.(40) | |
Electric Dipole Moment | ||
µa [C · m] µa [D] |
0.448(15) |
69067 |
µb [C · m] µb [D] |
0.248(10) |
a J. Phys. Chem. Ref. Data 18(3), 1245-1524 (1989). b Assumed value. |
Parameter | CH3=CH=CHC≡CH | Ref. |
---|---|---|
A [MHz] | 11 792.088(63) | a |
B [MHz] | 3388.222(18) | |
C [MHz] | 2672.221(20) | |
ΔJ [MHz] | 0.002 30(16) | |
ΔJK [MHz] | -0.0132(12) | |
δJ [MHz] | 0.000 88(27) | |
Internal Rotation Constants | ||
3.16 (assumed) | ||
θ | 76.8(2)° | |
s | 31.63 | |
V3 (cm-1) | 389.3(10) |
Parameter | Ref. | |
---|---|---|
Rotational Constants | ||
A [MHz] | 10 811.65(11) | 70064 |
B [MHz] | 6517.883(3) | |
C [MHz] | 5216.287(3) | |
Dipole Moment | ||
µa [C · m] µa [D] |
0.398(1) |
|
µc [C · m] µc [D] |
0.025(2) |
|
Zeeman Constants | ||
gaa | -0.0046(18) µN | |
gbb | -0.0342(11) µN | |
gcc | -0.0218(12) µN | |
Parameter | CH2=C=C=CHCH3 | Ref. |
---|---|---|
A [MHz] | 29788.(20) | a |
B [MHz] | 2212.987(5) | |
C [MHz] | 2085.026(4) | |
DJ [kHz] | 0.446(22) | |
DJK [kHz] | -33.95(5) | |
3.10 (assumed) | ||
θ | 44.4° (assumed) | |
V3 (cm-1) | 468.5(7) | |
Electric Dipole Moment | ||
µa [C · m] µa [D] |
0.50(5) |
87021 |
µb [C · m] µb [D] |
0.122(3) |