Published 1991
| Version v1
Journal article
Electron effects of coordination. Structure and vibrational spectra of coordinated molecules with multiply bonded donor atom
Creators
- 1. Rostovskij-na-Donu Gosudarstvennyj Univ., Rostov-na-Donu (USSR). Nauchno-Issledovatel'skij Inst. Fizicheskoj i Organicheskoj Khimii
Description
Using nonempiric and semiempiric variants of SCF MO LCAO method, the structure, force field and vibrational spectra of HCN, H2C=NH, H2C=O, H2C=S molecules and their complexes with BH3 and BF3 have been calculated. On the basis of the data obtained experimentally observed changes in vibrational spectra of donor molecules, taking place during complexing, are interpreted
Additional details
Additional titles
- Original title (Russian)
- Электронные эффекты координации. Строение и колебательные спектры координированных молекул с кратносвязанным донорным атомом
Publishing Information
- Journal Title
- Koordinatsionnaya Khimiya
- Journal Volume
- 17
- Journal Issue
- 4
- Series
- Koord. Khim.
- Journal Page Range
- 435-442
- ISSN
- 0132-344X
- CODEN
- KOKHD
INIS
- Country of Publication
- Russian Federation
- Country of Input or Organization
- USSR
- INIS RN
- 23016060
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- BINDING ENERGY; BORON COMPLEXES; COORDINATION VALENCES; ELECTRONIC STRUCTURE; ELECTRONS; FLUORIDES; FORMALDEHYDE; IMINES; LCAO METHOD; MOLECULAR STRUCTURE; NITRILES; ORGANIC SULFUR COMPOUNDS; VIBRATIONAL STATES
- Descriptors DEC
- ALDEHYDES; COMPLEXES; ELEMENTARY PARTICLES; ENERGY; ENERGY LEVELS; EXCITED STATES; FERMIONS; FLUORINE COMPOUNDS; HALIDES; HALOGEN COMPOUNDS; LEPTONS; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; VALENCE