|
|
|
LiNH2: Lithium amide
Electronic State: X1A1
Reference:
D. B. Grotjahn, P. M. Sheridan, I. Al-Jihad, and L. M. Ziurys,
J. Am. Chem. Soc. 123,
5489 (2001).
| Parameter |
LiNH2
|
LiND2
|
| A |
394567(49) |
197378(3) |
| B |
30321.626(20) |
26795.004(23) |
| C |
27978.631(19) |
23428.339(20) |
| DJ |
0.149451(69) |
0.086981(53) |
| DJK |
12.9834(29) |
7.9808(20) |
| d1 |
-0.015485(74) |
-0.017241(64) |
| d2 |
-0.007830(42) |
-0.01288(10) |
| HKJ |
-0.01807(26) |
-0.003957(94) |
| HJK |
0.001003(19) |
0.000706(19) |
| h2 |
--- |
1.64(74) x 10-6 |
| h3 |
4.3(2.7) x 10-7 |
7.4(1.5) x 10-7 |
| LJK |
8.01(82) x 10-6 |
1.15(29) x 10-6 |
| LKKJ |
-3.981(69) x 10-4 |
-3.08(16) x 10-5 |
| LJJK |
--- |
-2.02(81) x 10-7 |
| |
|
|
| rms |
0.045 |
0.040 |
|
