One Electron Be-Be π bond

doi:10.1039/D5CP03570H

2025-12-17

PRE

DOI：10.1039/D5CP03570H

原文链接

原文求助

摘要

En 中文

金属-金属键长期以来一直吸引着化学家的关注。其中一个引人入胜的例子是铍-铍键。在此，从头算量子化学计算揭示了二原子Be₂阴离子中一个电子π键的形成。该阴离子对自发电子分离是稳定的。尽管二原子Be单阳离子和双阳离子已被广泛研究，但本研究提供了二原子Be₂单阴离子的首个实例。

期刊

phys. chem. chem. phys.

IF:

论文数:

964

被引数:

机构

暂无机构信息

引用论文

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen 用于相关分子计算的高斯基集。一。原子硼通过氖和氢

The Journal of Chemical Physics

IF0

1989-01-15

PREAI

Thom H. Dunning

The nature of the chemical bond. II. The one-electron bond and the three-electron bond

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-05-01

458

PREAI

Pauling, L

New perspectives in multireference perturbation theory: the n-electron valence state approach

Theoretical Chemistry Accounts

IF0

2006-12-12

PREAI

Celestino Angeli; Mariachiara Pastore; Renzo Cimiraglia

An efficient second-order MC SCF method for long configuration expansions

Chemical Physics Letters

IF0

1985-04-01

PREAI

Peter J. Knowles; Hans-Joachim Werner

Boron‐Boron One‐Electron Sigma Bonds versus B‐X‐B Bridged Structures

Chemistry – A European Journal

IF0

2016-08-17

PREAI

Elena Kusevska; M. Merced Montero‐Campillo; Otilia Mó; Manuel Yáñez

A fifth-order perturbation comparison of electron correlation theories 电子关联理论的五阶扰动比较

Chemical Physics Letters

IF0

1989-05-01

PREAI

Krishnan Raghavachari; Gary W. Trucks; John A. Pople; Martin Head-Gordon

High-Level ab Initio Predictions for the Ionization Energy, Electron Affinity, and Heats of Formation of Cyclopentadienyl Radical, Cation, and Anion, C₅H₅/C₅H₅⁺/C₅H₅^–

The Journal of Physical Chemistry A

IF0

2014-03-25

PREAI

Po-Kam Lo; Kai-Chung Lau

An AlAl One‐Electron π Bond

Angewandte Chemie International Edition in English

IF0

2003-12-22

PREAI

Christian Pluta; Klaus‐R. Pörschke; Carl Krüger; Knut Hildenbrand

ELECTRON-SPIN RESONANCE-SPECTRUM OF [(MEO)3B-B(OME)3]- - NOVEL SIGMA RADICAL WITH A ONE-ELECTRON BOND

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-05-01

PREAI

HUDSON, RL; WILLIAMS, F

The ORCA quantum chemistry program package ORCA量子化学程序包

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2020-06-12

3.0K

OAAI

Neese, Frank; Wennmohs, Frank; Becker, Ute; Riplinger, Christoph

查看更多内容