Published 1983 | Version v1
Journal article Metadata-only

Theoretical investigation into structure and stability of B2H5- anion and LiB2H5 molecule

Creators

  • 1. AN SSSR, Moscow. Inst. Istorii Estestvoznaniya i Tekhniki
  • 2. Moskovskij Inst. Tonkoj Khimicheskoj Tekhnologii (USSR)

Description

Alternative configurations of B2H5- anion and LiB2H5 molecule are calculated by the Hartree-Fock-Ruthane method with 4-31 G basis. The B2H5- anion is not structurally hard in the migration of hydrogen. It is revialed for the LiB2H5 molecule that configuration of complex salt is the most stable, and configurations corresponding to lithium substituted of diborane lie on approximately 40 kcal/mol higher by energy

Additional details

Additional titles

Original title (Russian)
Теоретическое исследование структуры и стабильности аниона Б

Publishing Information

Journal Title
Koord. Khim.
Journal Volume
9
Journal Issue
3
Series
Koord. Khim.
Journal Page Range
326-332
ISSN
0132-344X

INIS

Country of Publication
Russian Federation
Country of Input or Organization
USSR
INIS RN
15030152
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Descriptors DEI
ANIONS; BORANES; CHEMICAL BONDS; COMPUTER CALCULATIONS; DIPOLE MOMENTS; ELECTRONIC STRUCTURE; ENERGY; HARTREE-FOCK METHOD; LITHIUM COMPOUNDS; MOLECULAR STRUCTURE; MOLECULES; STABILITY
Descriptors DEC
ALKALI METAL COMPOUNDS; BORON COMPOUNDS; CHARGED PARTICLES; HYDRIDES; HYDROGEN COMPOUNDS; IONS