Goldbook title
IUPAC > Gold Book > alphabetical index > B > branching plane
Gold G Icon
Indexes Download

branching plane

At a conical intersection point, the plane spanned by the gradient difference vector (x 1) and the gradient of the interstate coupling vector (x 2):
x 1 = ∂ ( E 2 − E 1 ) ∂ Q q
x 2 = C 1 t ∂ H ∂ Q C 2 q
where C 1 and C 2 are the configuration interaction eigenvectors (i.e., the excited and ground-state adiabatic wavefunctions) in a conical intersection problem, H is the conical intersection Hamiltonian, Q represents the nuclear configuration vector of the system, and thus q is a unit vector in the direction of vector q. E 1 and E 2 are the energies of the lower and upper states, respectively.
The branching plane is also referred to as the g-h plane. Inspection of x 1 and x 2 provides information on the geometrical deformation imposed on an excited state molecular entity immediately after decay at a conical intersection. Consequently, these vectors provide information on the ground-state species that will be formed after the decay.
PAC, 2007, 79, 293 (Glossary of terms used in photochemistry, 3rd edition (IUPAC Recommendations 2006)) on page 309
Interactive Link Maps
First Level Second Level Third Level
Cite as:
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8.
Last update: 2014-02-24; version: 2.3.3.
DOI of this term:
Original PDF version: The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.
Current PDF version | Version for print | History of this term