navigation banner
skip navigation NIST Physical Measurement Laboratory home page go to NIST home page Database home page Introduction and References Table of Atoms Table of Molecules

trans-Butadiene (C4H6)

Cross Sections
 
Incident electron energy, T = eV


Graph of BEB Cross Section

Table of BEB Cross Sections at Specific Energies in HTML or ASCII


 
Molecular Orbital Constants

Mol.
Orbital
B (eV) U (eV) N Q Double
Ion.
Special
Calc.
Remarks
1ag 305.97 435.95 2 1 Yes none none
1bu 305.95 436.22 2 1 Yes none none
2ag 305.69 436.17 2 1 Yes none none
2bu 305.69 436.18 2 1 Yes none none
3ag 29.76 40.25 2 1 Yes none none
3bu 27.27 41.5 2 1 Yes none none
4ag 22.56 37.6 2 1 No none none
4bu 18.51 30.46 2 1 No none B from OVGF
5bu 15.85 31.33 2 1 No none B from OVGF
5ag 15.58 28.72 2 1 No none B from OVGF
6ag 13.72 37.67 2 1 No none B from OVGF
6bu 13.62 29.62 2 1 No none B from OVGF
7ag 12.31 31.34 2 1 No none B from OVGF
1au 11.54 24.83 2 1 No none B from OVGF
1bg 9.14 27.78 2 1 No none B from CCSD(T)
B: Binding Energy
U: Average Kinetic Energy
N: Electron Occupation Number
Q: Dipole Constant
Double Ion.: Double Ionization Included
Special Calc.: Modified BEB theory (if appropriate)

ASCII Table of Molecular Orbital Constants

Chemical Structure and Data from the NIST Chemistry WebBook


navigation banner
NIST Physical Measurement Laboratory home page go to NIST home page Database home page Introduction and References Table of Atoms Table of Molecules